(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide

C33H35N3O3 — CID 139896079

IUPAC(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide
SMILESC[C@H](NC(=O)[C@@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C33H35N3O3/c1-24(25-19-21-29(22-20-25)39-28-16-9-4-10-17-28)35-32(37)30(18-11-23-34)36-33(38)31(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,19-22,24,30-31H,11,18,23,34H2,1H3,(H,35,37)(H,36,38)/t24-,30+/m0/s1
InChIKeyYBWWMSZZVYLKIF-QABMSTFYSA-N
MW521.66 g/mol
LogP5.71
Rot. Bonds12

About (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide

(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide (PubChem CID 139896079) has the molecular formula C33H35N3O3 and a molecular weight of 521.66 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide
PubChem CID139896079
Molecular FormulaC33H35N3O3
Molecular Weight521.66 g/mol
Exact Mass521.27
IUPAC Name(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide
SMILESC[C@H](NC(=O)[C@@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C33H35N3O3/c1-24(25-19-21-29(22-20-25)39-28-16-9-4-10-17-28)35-32(37)30(18-11-23-34)36-33(38)31(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,19-22,24,30-31H,11,18,23,34H2,1H3,(H,35,37)(H,36,38)/t24-,30+/m0/s1
InChIKeyYBWWMSZZVYLKIF-QABMSTFYSA-N
XLogP5.71
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide with MolForge

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Related Compounds

(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride
CID 142645953
(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride
CID 141009399
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-phenylethyl]pentanamide
CID 102509163
(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 86755915
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide
CID 95279840
(2S)-5-amino-2-(1-phenylethylamino)pentanamide
CID 141009409
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid
CID 175911269
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide?
The IUPAC name of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide (CID 139896079) is (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide?
The canonical SMILES for (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide is C[C@H](NC(=O)[C@@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide?
The InChIKey is YBWWMSZZVYLKIF-QABMSTFYSA-N. The full InChI is InChI=1S/C33H35N3O3/c1-24(25-19-21-29(22-20-25)39-28-16-9-4-10-17-28)35-32(37)30(18-11-23-34)36-33(38)31(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,19-22,24,30-31H,11,18,23,34H2,1H3,(H,35,37)(H,36,38)/t24-,30+/m0/s1.
What are the key properties of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide?
(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide has a molecular weight of 521.66 g/mol, XLogP of 5.71, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 139896079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).