(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide

C14H18N4O — CID 104871611

IUPAC(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
SMILESCCC(NC(=O)[C@H](N)c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H18N4O/c1-2-11(13-16-8-9-17-13)18-14(19)12(15)10-6-4-3-5-7-10/h3-9,11-12H,2,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeySJCOCHWUUMISIS-PIJUOVFKSA-N
MW258.32 g/mol
LogP1.68
Rot. Bonds5

About (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide

(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide (PubChem CID 104871611) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
PubChem CID104871611
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
SMILESCCC(NC(=O)[C@H](N)c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H18N4O/c1-2-11(13-16-8-9-17-13)18-14(19)12(15)10-6-4-3-5-7-10/h3-9,11-12H,2,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeySJCOCHWUUMISIS-PIJUOVFKSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
N-[1-(1H-imidazol-2-yl)-2-phenylethyl]-2,2-diphenylacetamide
CID 10452448
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
N-[1-(1H-imidazol-2-yl)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704075
1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464718
N-(1H-imidazol-2-yl)-2-phenylbutanamide
CID 60967236
4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983905
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide
CID 154783900
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide (CID 104871611) is (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide is CCC(NC(=O)[C@H](N)c1ccccc1)c1ncc[nH]1.
What is the InChIKey of (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide?
The InChIKey is SJCOCHWUUMISIS-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-11(13-16-8-9-17-13)18-14(19)12(15)10-6-4-3-5-7-10/h3-9,11-12H,2,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide?
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 104871611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).