tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate

C26H41N3O4 — CID 18018086

IUPACtert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
SMILESCCCC(C)NC(=O)C(c1ccc(CC)cc1)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1C
InChIInChI=1S/C26H41N3O4/c1-8-10-18(4)28-24(31)23(20-13-11-19(9-2)12-14-20)29(21-15-17(21)3)22(30)16-27-25(32)33-26(5,6)7/h11-14,17-18,21,23H,8-10,15-16H2,1-7H3,(H,27,32)(H,28,31)
InChIKeyFTYXCDGGVVWMAE-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.36
Rot. Bonds10

About tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate (PubChem CID 18018086) has the molecular formula C26H41N3O4 and a molecular weight of 459.63 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
PubChem CID18018086
Molecular FormulaC26H41N3O4
Molecular Weight459.63 g/mol
Exact Mass459.31
IUPAC Nametert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
SMILESCCCC(C)NC(=O)C(c1ccc(CC)cc1)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1C
InChIInChI=1S/C26H41N3O4/c1-8-10-18(4)28-24(31)23(20-13-11-19(9-2)12-14-20)29(21-15-17(21)3)22(30)16-27-25(32)33-26(5,6)7/h11-14,17-18,21,23H,8-10,15-16H2,1-7H3,(H,27,32)(H,28,31)
InChIKeyFTYXCDGGVVWMAE-UHFFFAOYSA-N
XLogP4.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 18012386
tert-butyl N-[2-[[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018206
tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018094
tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018091
tert-butyl N-[2-[cyclopropyl-[1-(3-methylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 18016556
tert-butyl N-[2-[cyclobutyl-[1-(3-methylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 18017696
tert-butyl N-[1-[[1-(4-ethylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18040883
tert-butyl N-[1-[cyclopropyl-[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 18056561
tert-butyl N-[3-methyl-1-[(2-methylcyclopropyl)-[2-oxo-2-(pentan-2-ylamino)-1-phenylethyl]amino]-1-oxobutan-2-yl]carbamate
CID 18040736
tert-butyl N-[2-[cyclopropyl-[1-(2-methylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 18016541
tert-butyl N-[1-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18040961
tert-butyl N-[2-[hexyl-[1-(4-hydroxyphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 18019736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate (CID 18018086) is tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate is CCCC(C)NC(=O)C(c1ccc(CC)cc1)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1C.
What is the InChIKey of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
The InChIKey is FTYXCDGGVVWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O4/c1-8-10-18(4)28-24(31)23(20-13-11-19(9-2)12-14-20)29(21-15-17(21)3)22(30)16-27-25(32)33-26(5,6)7/h11-14,17-18,21,23H,8-10,15-16H2,1-7H3,(H,27,32)(H,28,31).
What are the key properties of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate has a molecular weight of 459.63 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18018086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).