(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide

C24H40N4O2 — CID 20662149

IUPAC(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide
SMILESNCCC[C@@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C24H40N4O2/c25-17-7-14-21(26)23(29)28-22(16-15-20-11-5-2-6-12-20)24(30)27-18-8-13-19-9-3-1-4-10-19/h1,3-4,9-10,20-22H,2,5-8,11-18,25-26H2,(H,27,30)(H,28,29)/t21-,22+/m1/s1
InChIKeyVHBFENOWZKEJBI-YADHBBJMSA-N
MW416.61 g/mol
LogP2.65
Rot. Bonds13

About (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide

(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide (PubChem CID 20662149) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide
PubChem CID20662149
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide
SMILESNCCC[C@@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C24H40N4O2/c25-17-7-14-21(26)23(29)28-22(16-15-20-11-5-2-6-12-20)24(30)27-18-8-13-19-9-3-1-4-10-19/h1,3-4,9-10,20-22H,2,5-8,11-18,25-26H2,(H,27,30)(H,28,29)/t21-,22+/m1/s1
InChIKeyVHBFENOWZKEJBI-YADHBBJMSA-N
XLogP2.65
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide with MolForge

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Related Compounds

(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-4-phenylbutanoyl]amino]hexanoic acid
CID 175695977
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
CID 20662234
(2R)-2-(4-cycloheptylbutanoylamino)-N-(2-phenylethyl)butanediamide
CID 162387399
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide (CID 20662149) is (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide is NCCC[C@@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide?
The InChIKey is VHBFENOWZKEJBI-YADHBBJMSA-N. The full InChI is InChI=1S/C24H40N4O2/c25-17-7-14-21(26)23(29)28-22(16-15-20-11-5-2-6-12-20)24(30)27-18-8-13-19-9-3-1-4-10-19/h1,3-4,9-10,20-22H,2,5-8,11-18,25-26H2,(H,27,30)(H,28,29)/t21-,22+/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide?
(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide has a molecular weight of 416.61 g/mol, XLogP of 2.65, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide is sourced from PubChem (CID 20662149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).