(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide

C26H30N4O2 — CID 91424137

IUPAC(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
SMILESCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-10-14-22(15-11-19)28-25(31)24(9-5-6-18-27)30-26(32)29-23-16-12-21(13-17-23)20-7-3-2-4-8-20/h2-4,7-8,10-17,24H,5-6,9,18,27H2,1H3,(H,28,31)(H2,29,30,32)/t24-/m0/s1
InChIKeyVWLDEVRVGLYHKI-DEOSSOPVSA-N
MW430.55 g/mol
LogP4.92
Rot. Bonds9

About (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide

(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide (PubChem CID 91424137) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
PubChem CID91424137
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
SMILESCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-10-14-22(15-11-19)28-25(31)24(9-5-6-18-27)30-26(32)29-23-16-12-21(13-17-23)20-7-3-2-4-8-20/h2-4,7-8,10-17,24H,5-6,9,18,27H2,1H3,(H,28,31)(H2,29,30,32)/t24-/m0/s1
InChIKeyVWLDEVRVGLYHKI-DEOSSOPVSA-N
XLogP4.92
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide
CID 20646767
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-2-phenylbenzamide
CID 91127715
(2S)-6-amino-2-[[4-[(2-fluorophenyl)methoxy]phenyl]carbamoylamino]-N-(4-methylphenyl)hexanamide
CID 91429377
(2R)-6-amino-N-(4-methylphenyl)-2-[(3-phenylmethoxyphenyl)carbamoylamino]hexanamide
CID 90970724
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
6-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-N-(4-methylphenyl)hexanamide
CID 135202870
(2S)-6-amino-N-(4-methylphenyl)-2-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoylamino]hexanamide
CID 91129944
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 91451384
[4-[[4-[[(2S)-6-amino-2-[[2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methoxycarbonylamino]phenyl]methyl N-(4-methylphenyl)carbamate
CID 70899415
[(2S)-6-amino-1-(2-methylanilino)-1-oxohexan-2-yl]carbamic acid
CID 91260086
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide
CID 46936743

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide?
The IUPAC name of (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide (CID 91424137) is (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide.
What is the SMILES notation for (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide?
The canonical SMILES for (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide is Cc1ccc(NC(=O)[C@H](CCCCN)NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide?
The InChIKey is VWLDEVRVGLYHKI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-10-14-22(15-11-19)28-25(31)24(9-5-6-18-27)30-26(32)29-23-16-12-21(13-17-23)20-7-3-2-4-8-20/h2-4,7-8,10-17,24H,5-6,9,18,27H2,1H3,(H,28,31)(H2,29,30,32)/t24-/m0/s1.
What are the key properties of (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide?
(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide has a molecular weight of 430.55 g/mol, XLogP of 4.92, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide is sourced from PubChem (CID 91424137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).