N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide

C50H48F10N6O5 — CID 101427107

IUPACN-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1c(F)c(F)c(F)c(F)c1F)[C@@H](C)c1ccccc1)[C@@H](C)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C50H48F10N6O5/c1-26(31-15-9-6-10-16-31)62-21-35(68)65(29(4)39-41(51)45(55)49(59)46(56)42(39)52)24-37(70)64(28(3)33-19-13-8-14-20-33)23-38(71)66(30(5)40-43(53)47(57)50(60)48(58)44(40)54)25-36(69)63(22-34(61)67)27(2)32-17-11-7-12-18-32/h6-20,26-30,62H,21-25H2,1-5H3,(H2,61,67)/t26-,27-,28-,29-,30-/m0/s1
InChIKeyUANJRCXBGNLPJA-IIZANFQQSA-N
MW1002.95 g/mol
LogP8.57
Rot. Bonds20

About N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 101427107) has the molecular formula C50H48F10N6O5 and a molecular weight of 1002.95 g/mol. Its IUPAC name is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
PubChem CID101427107
Molecular FormulaC50H48F10N6O5
Molecular Weight1002.95 g/mol
Exact Mass1002.35
IUPAC NameN-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1c(F)c(F)c(F)c(F)c1F)[C@@H](C)c1ccccc1)[C@@H](C)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C50H48F10N6O5/c1-26(31-15-9-6-10-16-31)62-21-35(68)65(29(4)39-41(51)45(55)49(59)46(56)42(39)52)24-37(70)64(28(3)33-19-13-8-14-20-33)23-38(71)66(30(5)40-43(53)47(57)50(60)48(58)44(40)54)25-36(69)63(22-34(61)67)27(2)32-17-11-7-12-18-32/h6-20,26-30,62H,21-25H2,1-5H3,(H2,61,67)/t26-,27-,28-,29-,30-/m0/s1
InChIKeyUANJRCXBGNLPJA-IIZANFQQSA-N
XLogP8.57
TPSA136.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.95
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-2-(methylamino)-N-[(1R)-1-phenylethyl]acetamide
CID 119807877
tert-butyl 3-[[(1S)-1-phenylethyl]-[2-[[(1S)-1-phenylethyl]-[3-[[(1S)-1-phenylethyl]-[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]propanoate
CID 56955505
CID 140637910
CID 140637910
N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide
CID 102379999
N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide
CID 102380003
N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 58018109
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
N,N-diphenyl-2-(1-phenylethylamino)acetamide
CID 68968814
2-(2-aminoethylamino)-N-[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(2-sulfanylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-(2-sulfanylethyl)acetamide
CID 130252041
2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]acetamide
CID 139506129
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 101427107) is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide is C[C@H](NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1c(F)c(F)c(F)c(F)c1F)[C@@H](C)c1ccccc1)[C@@H](C)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is UANJRCXBGNLPJA-IIZANFQQSA-N. The full InChI is InChI=1S/C50H48F10N6O5/c1-26(31-15-9-6-10-16-31)62-21-35(68)65(29(4)39-41(51)45(55)49(59)46(56)42(39)52)24-37(70)64(28(3)33-19-13-8-14-20-33)23-38(71)66(30(5)40-43(53)47(57)50(60)48(58)44(40)54)25-36(69)63(22-34(61)67)27(2)32-17-11-7-12-18-32/h6-20,26-30,62H,21-25H2,1-5H3,(H2,61,67)/t26-,27-,28-,29-,30-/m0/s1.
What are the key properties of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 1002.95 g/mol, XLogP of 8.57, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 101427107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).