(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide

C21H34N4O2 — CID 57398373

IUPAC(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
SMILESNCCC[C@@H](N)C(=O)NC(CCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H34N4O2/c22-15-7-12-18(23)20(26)25-19(14-13-16-8-3-1-4-9-16)21(27)24-17-10-5-2-6-11-17/h1,3-4,8-9,17-19H,2,5-7,10-15,22-23H2,(H,24,27)(H,25,26)/t18-,19?/m1/s1
InChIKeyPUMGQXNRRKJWOC-MRTLOADZSA-N
MW374.53 g/mol
LogP1.62
Rot. Bonds10

About (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide

(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide (PubChem CID 57398373) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
PubChem CID57398373
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
SMILESNCCC[C@@H](N)C(=O)NC(CCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H34N4O2/c22-15-7-12-18(23)20(26)25-19(14-13-16-8-3-1-4-9-16)21(27)24-17-10-5-2-6-11-17/h1,3-4,8-9,17-19H,2,5-7,10-15,22-23H2,(H,24,27)(H,25,26)/t18-,19?/m1/s1
InChIKeyPUMGQXNRRKJWOC-MRTLOADZSA-N
XLogP1.62
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide
CID 20662149
benzyl N-[(2S)-6-amino-1-(cyclopentylamino)-1-oxohexan-2-yl]carbamate
CID 140895488
(2R)-N-[(2R)-5-amino-1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanoyl]amino]-4-methylpentanamide
CID 130335735
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
CID 123654597
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-4-phenylbutanoyl]amino]hexanoic acid
CID 175695977
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
CID 145456719

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide (CID 57398373) is (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide is NCCC[C@@H](N)C(=O)NC(CCc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide?
The InChIKey is PUMGQXNRRKJWOC-MRTLOADZSA-N. The full InChI is InChI=1S/C21H34N4O2/c22-15-7-12-18(23)20(26)25-19(14-13-16-8-3-1-4-9-16)21(27)24-17-10-5-2-6-11-17/h1,3-4,8-9,17-19H,2,5-7,10-15,22-23H2,(H,24,27)(H,25,26)/t18-,19?/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide?
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide has a molecular weight of 374.53 g/mol, XLogP of 1.62, 10 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-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide is sourced from PubChem (CID 57398373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).