N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide

C19H24N2O — CID 97230696

IUPACN-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
SMILESCC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-4-18(16-10-8-14(2)9-11-16)21-13-15-6-5-7-17(12-15)19(22)20-3/h5-12,18,21H,4,13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyMBHZJBASIYFSNG-GOSISDBHSA-N
MW296.41 g/mol
LogP3.60
Rot. Bonds6

About N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide

N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide (PubChem CID 97230696) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
PubChem CID97230696
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
SMILESCC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-4-18(16-10-8-14(2)9-11-16)21-13-15-6-5-7-17(12-15)19(22)20-3/h5-12,18,21H,4,13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyMBHZJBASIYFSNG-GOSISDBHSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43080790
3-ethyl-N-methylbenzamide
CID 59115297
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CID 46592660
N-methyl-3-[[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111621753
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CID 43221263
N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
CID 95624419
3-(isothiocyanatomethyl)-N-methylbenzamide
CID 16664203
2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 60657857
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
(3R)-3-[(3-bromophenyl)methylamino]-3-(4-methylphenyl)propanoic acid
CID 97342516
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide (CID 97230696) is N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide is CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide?
The InChIKey is MBHZJBASIYFSNG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-18(16-10-8-14(2)9-11-16)21-13-15-6-5-7-17(12-15)19(22)20-3/h5-12,18,21H,4,13H2,1-3H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide?
N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide has a molecular weight of 296.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide is sourced from PubChem (CID 97230696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).