4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide

C18H22N2O — CID 34716636

IUPAC4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
SMILESCC(C)[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(2)17(15-6-4-3-5-7-15)20-12-14-8-10-16(11-9-14)18(19)21/h3-11,13,17,20H,12H2,1-2H3,(H2,19,21)/t17-/m1/s1
InChIKeyHBFFHBFIRJJSSM-QGZVFWFLSA-N
MW282.39 g/mol
LogP3.27
Rot. Bonds6

About 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide

4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide (PubChem CID 34716636) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
PubChem CID34716636
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
SMILESCC(C)[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(2)17(15-6-4-3-5-7-15)20-12-14-8-10-16(11-9-14)18(19)21/h3-11,13,17,20H,12H2,1-2H3,(H2,19,21)/t17-/m1/s1
InChIKeyHBFFHBFIRJJSSM-QGZVFWFLSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
CID 18124565
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
methyl (2R)-2-[(S)-(benzylamino)-phenylmethyl]-3-methylbutanoate
CID 102070939
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
CID 111449752
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 106344350
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
ethyl (2R,3R)-3-(benzylamino)-2-methyl-3-phenylpropanoate
CID 100975099

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide (CID 34716636) is 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide is CC(C)[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide?
The InChIKey is HBFFHBFIRJJSSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)17(15-6-4-3-5-7-15)20-12-14-8-10-16(11-9-14)18(19)21/h3-11,13,17,20H,12H2,1-2H3,(H2,19,21)/t17-/m1/s1.
What are the key properties of 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide?
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide is sourced from PubChem (CID 34716636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).