2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide

C15H20N4O — CID 63293627

IUPAC2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCn1ccnc1CNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-19-8-7-17-14(19)11-18-15(20)13(10-16)9-12-5-3-2-4-6-12/h2-8,13H,9-11,16H2,1H3,(H,18,20)
InChIKeyJHXFAZBOTGDUOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.85
Rot. Bonds6

About 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide

2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 63293627) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID63293627
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCn1ccnc1CNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-19-8-7-17-14(19)11-18-15(20)13(10-16)9-12-5-3-2-4-6-12/h2-8,13H,9-11,16H2,1H3,(H,18,20)
InChIKeyJHXFAZBOTGDUOK-UHFFFAOYSA-N
XLogP0.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (CID 63293627) is 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is Cn1ccnc1CNC(=O)C(CN)Cc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is JHXFAZBOTGDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-8-7-17-14(19)11-18-15(20)13(10-16)9-12-5-3-2-4-6-12/h2-8,13H,9-11,16H2,1H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 63293627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).