3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide

C18H22N2O — CID 104930123

IUPAC3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CN[C@@H](C)c1ccccc1C
InChIInChI=1S/C18H22N2O/c1-12-6-4-5-7-17(12)14(3)20-11-16-9-8-15(18(19)21)10-13(16)2/h4-10,14,20H,11H2,1-3H3,(H2,19,21)/t14-/m0/s1
InChIKeyFMRXKQZYRXGEBZ-AWEZNQCLSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds5

About 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide

3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide (PubChem CID 104930123) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
PubChem CID104930123
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CN[C@@H](C)c1ccccc1C
InChIInChI=1S/C18H22N2O/c1-12-6-4-5-7-17(12)14(3)20-11-16-9-8-15(18(19)21)10-13(16)2/h4-10,14,20H,11H2,1-3H3,(H2,19,21)/t14-/m0/s1
InChIKeyFMRXKQZYRXGEBZ-AWEZNQCLSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzoic acid
CID 103258145
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829
3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
CID 114480389
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
4-[[1-(2-methylphenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953068
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide (CID 104930123) is 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide is Cc1cc(C(N)=O)ccc1CN[C@@H](C)c1ccccc1C.
What is the InChIKey of 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide?
The InChIKey is FMRXKQZYRXGEBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-6-4-5-7-17(12)14(3)20-11-16-9-8-15(18(19)21)10-13(16)2/h4-10,14,20H,11H2,1-3H3,(H2,19,21)/t14-/m0/s1.
What are the key properties of 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide?
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 104930123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).