2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide

C16H20N4O2 — CID 94024335

IUPAC2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cn2ccnc2)cc1
InChIInChI=1S/C16H20N4O2/c1-12(10-20-8-7-17-11-20)18-16(22)9-14-3-5-15(6-4-14)19-13(2)21/h3-8,11-12H,9-10H2,1-2H3,(H,18,22)(H,19,21)/t12-/m0/s1
InChIKeyNZLXQVDNFXNGOM-LBPRGKRZSA-N
MW300.36 g/mol
LogP1.59
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide

2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide (PubChem CID 94024335) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
PubChem CID94024335
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cn2ccnc2)cc1
InChIInChI=1S/C16H20N4O2/c1-12(10-20-8-7-17-11-20)18-16(22)9-14-3-5-15(6-4-14)19-13(2)21/h3-8,11-12H,9-10H2,1-2H3,(H,18,22)(H,19,21)/t12-/m0/s1
InChIKeyNZLXQVDNFXNGOM-LBPRGKRZSA-N
XLogP1.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63591412
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide (CID 94024335) is 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide is CC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cn2ccnc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide?
The InChIKey is NZLXQVDNFXNGOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(10-20-8-7-17-11-20)18-16(22)9-14-3-5-15(6-4-14)19-13(2)21/h3-8,11-12H,9-10H2,1-2H3,(H,18,22)(H,19,21)/t12-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide?
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 94024335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).