2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide

C16H22N4O — CID 91836915

IUPAC2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N(C)Cc2ncc(C)[nH]2)c1
InChIInChI=1S/C16H22N4O/c1-11-6-5-7-14(8-11)19-16(21)13(3)20(4)10-15-17-9-12(2)18-15/h5-9,13H,10H2,1-4H3,(H,17,18)(H,19,21)
InChIKeyZKQQIHFVSLYKNS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.49
Rot. Bonds5

About 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide

2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 91836915) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide
PubChem CID91836915
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N(C)Cc2ncc(C)[nH]2)c1
InChIInChI=1S/C16H22N4O/c1-11-6-5-7-14(8-11)19-16(21)13(3)20(4)10-15-17-9-12(2)18-15/h5-9,13H,10H2,1-4H3,(H,17,18)(H,19,21)
InChIKeyZKQQIHFVSLYKNS-UHFFFAOYSA-N
XLogP2.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 55543882
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 144587041
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide (CID 91836915) is 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)N(C)Cc2ncc(C)[nH]2)c1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide?
The InChIKey is ZKQQIHFVSLYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-6-5-7-14(8-11)19-16(21)13(3)20(4)10-15-17-9-12(2)18-15/h5-9,13H,10H2,1-4H3,(H,17,18)(H,19,21).
What are the key properties of 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide?
2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 91836915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).