(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide

C16H21N3O — CID 70244462

IUPAC(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide
SMILESC[C@@H](CC(=O)NCCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-13(14-6-3-2-4-7-14)10-16(20)18-9-5-8-15-11-17-12-19-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyDSHRSGBDSQJRKX-ZDUSSCGKSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds7

About (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide

(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide (PubChem CID 70244462) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide
PubChem CID70244462
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide
SMILESC[C@@H](CC(=O)NCCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-13(14-6-3-2-4-7-14)10-16(20)18-9-5-8-15-11-17-12-19-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyDSHRSGBDSQJRKX-ZDUSSCGKSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-phenylbutanamide
CID 46432534
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 45237619
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide?
The IUPAC name of (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide (CID 70244462) is (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide?
The canonical SMILES for (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide is C[C@@H](CC(=O)NCCCc1cnc[nH]1)c1ccccc1.
What is the InChIKey of (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide?
The InChIKey is DSHRSGBDSQJRKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(14-6-3-2-4-7-14)10-16(20)18-9-5-8-15-11-17-12-19-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide?
(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide has a molecular weight of 271.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 70244462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).