(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide

C15H20N4O — CID 28994199

IUPAC(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O/c16-14(11-13-5-2-1-3-6-13)15(20)18-7-4-9-19-10-8-17-12-19/h1-3,5-6,8,10,12,14H,4,7,9,11,16H2,(H,18,20)/t14-/m0/s1
InChIKeyUIRWBHPMCPTPCF-AWEZNQCLSA-N
MW272.35 g/mol
LogP0.96
Rot. Bonds7

About (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide

(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide (PubChem CID 28994199) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
PubChem CID28994199
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O/c16-14(11-13-5-2-1-3-6-13)15(20)18-7-4-9-19-10-8-17-12-19/h1-3,5-6,8,10,12,14H,4,7,9,11,16H2,(H,18,20)/t14-/m0/s1
InChIKeyUIRWBHPMCPTPCF-AWEZNQCLSA-N
XLogP0.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
CID 124507638
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
methyl 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide (CID 28994199) is (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCCn1ccnc1.
What is the InChIKey of (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide?
The InChIKey is UIRWBHPMCPTPCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14(11-13-5-2-1-3-6-13)15(20)18-7-4-9-19-10-8-17-12-19/h1-3,5-6,8,10,12,14H,4,7,9,11,16H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 28994199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).