3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide

C16H22N4O — CID 119953299

IUPAC3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
SMILESCC(CNC(=O)CC(N)c1ccccc1)Cn1ccnc1
InChIInChI=1S/C16H22N4O/c1-13(11-20-8-7-18-12-20)10-19-16(21)9-15(17)14-5-3-2-4-6-14/h2-8,12-13,15H,9-11,17H2,1H3,(H,19,21)
InChIKeyGIEMVJHZXWOKER-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.73
Rot. Bonds7

About 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide

3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide (PubChem CID 119953299) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
PubChem CID119953299
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
SMILESCC(CNC(=O)CC(N)c1ccccc1)Cn1ccnc1
InChIInChI=1S/C16H22N4O/c1-13(11-20-8-7-18-12-20)10-19-16(21)9-15(17)14-5-3-2-4-6-14/h2-8,12-13,15H,9-11,17H2,1H3,(H,19,21)
InChIKeyGIEMVJHZXWOKER-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119527702
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
CID 95598107

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide (CID 119953299) is 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide is CC(CNC(=O)CC(N)c1ccccc1)Cn1ccnc1.
What is the InChIKey of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide?
The InChIKey is GIEMVJHZXWOKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(11-20-8-7-18-12-20)10-19-16(21)9-15(17)14-5-3-2-4-6-14/h2-8,12-13,15H,9-11,17H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide?
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 119953299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).