4-[(1-phenylpropan-2-ylamino)methyl]benzamide

C17H20N2O — CID 63012099

IUPAC4-[(1-phenylpropan-2-ylamino)methyl]benzamide
SMILESCC(Cc1ccccc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-13(11-14-5-3-2-4-6-14)19-12-15-7-9-16(10-8-15)17(18)20/h2-10,13,19H,11-12H2,1H3,(H2,18,20)
InChIKeyBYPNWIWRBJJLKR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.51
Rot. Bonds6

About 4-[(1-phenylpropan-2-ylamino)methyl]benzamide

4-[(1-phenylpropan-2-ylamino)methyl]benzamide (PubChem CID 63012099) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(1-phenylpropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(1-phenylpropan-2-ylamino)methyl]benzamide
PubChem CID63012099
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(1-phenylpropan-2-ylamino)methyl]benzamide
SMILESCC(Cc1ccccc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-13(11-14-5-3-2-4-6-14)19-12-15-7-9-16(10-8-15)17(18)20/h2-10,13,19H,11-12H2,1H3,(H2,18,20)
InChIKeyBYPNWIWRBJJLKR-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63011266
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
4-[(4-ethylsulfanylbutan-2-ylamino)methyl]benzamide
CID 115660454
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
2-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzoic acid
CID 106700029
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
The IUPAC name of 4-[(1-phenylpropan-2-ylamino)methyl]benzamide (CID 63012099) is 4-[(1-phenylpropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-[(1-phenylpropan-2-ylamino)methyl]benzamide is CC(Cc1ccccc1)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
The InChIKey is BYPNWIWRBJJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(11-14-5-3-2-4-6-14)19-12-15-7-9-16(10-8-15)17(18)20/h2-10,13,19H,11-12H2,1H3,(H2,18,20).
What are the key properties of 4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
4-[(1-phenylpropan-2-ylamino)methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylpropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 63012099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).