4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide

C20H26N2O — CID 97235291

IUPAC4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
SMILESCC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C20H26N2O/c1-4-19(13-16-7-5-15(2)6-8-16)22(3)20(23)18-11-9-17(14-21)10-12-18/h5-12,19H,4,13-14,21H2,1-3H3/t19-/m0/s1
InChIKeyDAPJPDOTQASNJM-IBGZPJMESA-N
MW310.44 g/mol
LogP3.55
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide

4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide (PubChem CID 97235291) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
PubChem CID97235291
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
SMILESCC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C20H26N2O/c1-4-19(13-16-7-5-15(2)6-8-16)22(3)20(23)18-11-9-17(14-21)10-12-18/h5-12,19H,4,13-14,21H2,1-3H3/t19-/m0/s1
InChIKeyDAPJPDOTQASNJM-IBGZPJMESA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 122142637
N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 124607313
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011
3-[[methyl-[1-(4-methylphenyl)butan-2-yl]carbamoyl]amino]propanoic acid
CID 122017579
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
CID 119806881
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119806868
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 119806871
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide (CID 97235291) is 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide is CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide?
The InChIKey is DAPJPDOTQASNJM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-19(13-16-7-5-15(2)6-8-16)22(3)20(23)18-11-9-17(14-21)10-12-18/h5-12,19H,4,13-14,21H2,1-3H3/t19-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide?
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide has a molecular weight of 310.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide is sourced from PubChem (CID 97235291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).