N-(3-imidazol-1-ylpropyl)-2-phenylacetamide

C14H17N3O — CID 3425918

IUPACN-(3-imidazol-1-ylpropyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C14H17N3O/c18-14(11-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18)
InChIKeyQTCHOYQEJRIXGP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.63
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-phenylacetamide

N-(3-imidazol-1-ylpropyl)-2-phenylacetamide (PubChem CID 3425918) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-phenylacetamide
PubChem CID3425918
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C14H17N3O/c18-14(11-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18)
InChIKeyQTCHOYQEJRIXGP-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imidafenacin
CID 6433090
1H-Imidazol-1-ylphenylmethanone
CID 66319
4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
2-(1H-Imidazol-1-yl)-1-phenylethanone
CID 32235
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
2-(4-bromophenyl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 3768856
N-[3-(1H-imidazol-1-yl)propyl]-2-(4-methylphenyl)acetamide
CID 2939686
3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4221180
1-Azolyl-4-phenyl-2-butanone, 6a
CID 12816466
1-Imidazol-1-yl-4-phenylbutan-2-one;hydrochloride
CID 20518654
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 53327840

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenylacetamide (CID 3425918) is N-(3-imidazol-1-ylpropyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
The InChIKey is QTCHOYQEJRIXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(11-13-5-2-1-3-6-13)16-7-4-9-17-10-8-15-12-17/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,16,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
N-(3-imidazol-1-ylpropyl)-2-phenylacetamide has a molecular weight of 243.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-phenylacetamide is sourced from PubChem (CID 3425918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).