2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C14H18N4O — CID 106591544

IUPAC2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1cnc[nH]1)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-10(11-3-2-4-12(15)7-11)14(19)17-6-5-13-8-16-9-18-13/h2-4,7-10H,5-6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyOSWBDMXZUIYGSN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.45
Rot. Bonds5

About 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 106591544) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID106591544
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1cnc[nH]1)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-10(11-3-2-4-12(15)7-11)14(19)17-6-5-13-8-16-9-18-13/h2-4,7-10H,5-6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyOSWBDMXZUIYGSN-UHFFFAOYSA-N
XLogP1.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 106591515
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-carbamothioyl-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 65231137

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 106591544) is 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is CC(C(=O)NCCc1cnc[nH]1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is OSWBDMXZUIYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(11-3-2-4-12(15)7-11)14(19)17-6-5-13-8-16-9-18-13/h2-4,7-10H,5-6,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106591544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).