(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride

C31H34ClN3O2 — CID 142645953

IUPAC(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride
SMILESC[C@@H](NC(=O)[C@@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C31H33N3O2.ClH/c1-22(26-19-10-17-23-12-8-9-18-27(23)26)33-30(35)28(20-11-21-32)34-31(36)29(24-13-4-2-5-14-24)25-15-6-3-7-16-25;/h2-10,12-19,22,28-29H,11,20-21,32H2,1H3,(H,33,35)(H,34,36);1H/t22-,28-;/m1./s1
InChIKeyWSVIPBRYVBOQSI-LNHWOQJCSA-N
MW516.09 g/mol
LogP5.49
Rot. Bonds10

About (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride

(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride (PubChem CID 142645953) has the molecular formula C31H34ClN3O2 and a molecular weight of 516.09 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride
PubChem CID142645953
Molecular FormulaC31H34ClN3O2
Molecular Weight516.09 g/mol
Exact Mass515.23
IUPAC Name(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride
SMILESC[C@@H](NC(=O)[C@@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C31H33N3O2.ClH/c1-22(26-19-10-17-23-12-8-9-18-27(23)26)33-30(35)28(20-11-21-32)34-31(36)29(24-13-4-2-5-14-24)25-15-6-3-7-16-25;/h2-10,12-19,22,28-29H,11,20-21,32H2,1H3,(H,33,35)(H,34,36);1H/t22-,28-;/m1./s1
InChIKeyWSVIPBRYVBOQSI-LNHWOQJCSA-N
XLogP5.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.09
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride with MolForge

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Related Compounds

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(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 86755915
5-amino-2-(1-naphthalen-1-ylethylamino)pentanamide
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CID 102509163
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benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[(1R)-1-naphthalen-1-ylethyl]amino]-5-oxopentyl]carbamate
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2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
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N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride?
The IUPAC name of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride (CID 142645953) is (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride.
What is the SMILES notation for (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride?
The canonical SMILES for (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride is C[C@@H](NC(=O)[C@@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12.Cl.
What is the InChIKey of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride?
The InChIKey is WSVIPBRYVBOQSI-LNHWOQJCSA-N. The full InChI is InChI=1S/C31H33N3O2.ClH/c1-22(26-19-10-17-23-12-8-9-18-27(23)26)33-30(35)28(20-11-21-32)34-31(36)29(24-13-4-2-5-14-24)25-15-6-3-7-16-25;/h2-10,12-19,22,28-29H,11,20-21,32H2,1H3,(H,33,35)(H,34,36);1H/t22-,28-;/m1./s1.
What are the key properties of (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride?
(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride has a molecular weight of 516.09 g/mol, XLogP of 5.49, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride is sourced from PubChem (CID 142645953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).