(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide

C23H28N4O — CID 119736341

IUPAC(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide
SMILESCCN(CCc1ccccc1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C23H28N4O/c1-2-27(14-13-19-9-5-3-6-10-19)23(28)22(24)15-21-17-26(18-25-21)16-20-11-7-4-8-12-20/h3-12,17-18,22H,2,13-16,24H2,1H3/t22-/m0/s1
InChIKeyHBOSJIUNZKXPKY-QFIPXVFZSA-N
MW376.50 g/mol
LogP2.89
Rot. Bonds9

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide (PubChem CID 119736341) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide
PubChem CID119736341
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide
SMILESCCN(CCc1ccccc1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C23H28N4O/c1-2-27(14-13-19-9-5-3-6-10-19)23(28)22(24)15-21-17-26(18-25-21)16-20-11-7-4-8-12-20/h3-12,17-18,22H,2,13-16,24H2,1H3/t22-/m0/s1
InChIKeyHBOSJIUNZKXPKY-QFIPXVFZSA-N
XLogP2.89
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride
CID 119726698
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119739113
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide
CID 120607749
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide
CID 119750560
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 119729874
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3,5-dimethylphenyl)-N-methylpropanamide
CID 119943430
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide;dihydrochloride
CID 119681900
2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 178096968
3-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide
CID 119818696
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide;dihydrochloride
CID 119695642
4-[(1-benzylimidazol-4-yl)methyl]heptane-3,5-dione
CID 67276883

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide (CID 119736341) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide is CCN(CCc1ccccc1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1.
What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide?
The InChIKey is HBOSJIUNZKXPKY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-27(14-13-19-9-5-3-6-10-19)23(28)22(24)15-21-17-26(18-25-21)16-20-11-7-4-8-12-20/h3-12,17-18,22H,2,13-16,24H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide?
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide has a molecular weight of 376.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 119736341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).