2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide

C14H18N4O — CID 64519424

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-14(15,11-6-4-3-5-7-11)13(19)18(2)10-12-16-8-9-17-12/h3-9H,10,15H2,1-2H3,(H,16,17)
InChIKeyLPGBSUSXBAOGKW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.24
Rot. Bonds4

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide (PubChem CID 64519424) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
PubChem CID64519424
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-14(15,11-6-4-3-5-7-11)13(19)18(2)10-12-16-8-9-17-12/h3-9H,10,15H2,1-2H3,(H,16,17)
InChIKeyLPGBSUSXBAOGKW-UHFFFAOYSA-N
XLogP1.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide (CID 64519424) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide is CN(Cc1ncc[nH]1)C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide?
The InChIKey is LPGBSUSXBAOGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(15,11-6-4-3-5-7-11)13(19)18(2)10-12-16-8-9-17-12/h3-9H,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 64519424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).