(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide

C21H38N4O — CID 57034858

IUPAC(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide
SMILESCC(C)CCNCCC(CCNC(=O)[C@H](N)CCCN)c1ccccc1
InChIInChI=1S/C21H38N4O/c1-17(2)10-14-24-15-11-19(18-7-4-3-5-8-18)12-16-25-21(26)20(23)9-6-13-22/h3-5,7-8,17,19-20,24H,6,9-16,22-23H2,1-2H3,(H,25,26)/t19?,20-/m1/s1
InChIKeyJWLZGTAQCURGSA-GFOWMXPYSA-N
MW362.56 g/mol
LogP2.37
Rot. Bonds14

About (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide

(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide (PubChem CID 57034858) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide
PubChem CID57034858
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide
SMILESCC(C)CCNCCC(CCNC(=O)[C@H](N)CCCN)c1ccccc1
InChIInChI=1S/C21H38N4O/c1-17(2)10-14-24-15-11-19(18-7-4-3-5-8-18)12-16-25-21(26)20(23)9-6-13-22/h3-5,7-8,17,19-20,24H,6,9-16,22-23H2,1-2H3,(H,25,26)/t19?,20-/m1/s1
InChIKeyJWLZGTAQCURGSA-GFOWMXPYSA-N
XLogP2.37
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide
CID 23400721
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide
CID 53387443
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide (CID 57034858) is (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide is CC(C)CCNCCC(CCNC(=O)[C@H](N)CCCN)c1ccccc1.
What is the InChIKey of (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide?
The InChIKey is JWLZGTAQCURGSA-GFOWMXPYSA-N. The full InChI is InChI=1S/C21H38N4O/c1-17(2)10-14-24-15-11-19(18-7-4-3-5-8-18)12-16-25-21(26)20(23)9-6-13-22/h3-5,7-8,17,19-20,24H,6,9-16,22-23H2,1-2H3,(H,25,26)/t19?,20-/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide?
(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide has a molecular weight of 362.56 g/mol, XLogP of 2.37, 14 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-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide is sourced from PubChem (CID 57034858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).