N-phenyl-4-[(1-phenylethylamino)methyl]benzamide

C22H22N2O — CID 17476101

IUPACN-phenyl-4-[(1-phenylethylamino)methyl]benzamide
SMILESCC(NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-17(19-8-4-2-5-9-19)23-16-18-12-14-20(15-13-18)22(25)24-21-10-6-3-7-11-21/h2-15,17,23H,16H2,1H3,(H,24,25)
InChIKeyDRXRKRLRCUCMSJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.79
Rot. Bonds6

About N-phenyl-4-[(1-phenylethylamino)methyl]benzamide

N-phenyl-4-[(1-phenylethylamino)methyl]benzamide (PubChem CID 17476101) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-phenyl-4-[(1-phenylethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[(1-phenylethylamino)methyl]benzamide
PubChem CID17476101
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-phenyl-4-[(1-phenylethylamino)methyl]benzamide
SMILESCC(NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-17(19-8-4-2-5-9-19)23-16-18-12-14-20(15-13-18)22(25)24-21-10-6-3-7-11-21/h2-15,17,23H,16H2,1H3,(H,24,25)
InChIKeyDRXRKRLRCUCMSJ-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 94535067
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(1-phenylethylamino)methyl]benzamide?
The IUPAC name of N-phenyl-4-[(1-phenylethylamino)methyl]benzamide (CID 17476101) is N-phenyl-4-[(1-phenylethylamino)methyl]benzamide.
What is the SMILES notation for N-phenyl-4-[(1-phenylethylamino)methyl]benzamide?
The canonical SMILES for N-phenyl-4-[(1-phenylethylamino)methyl]benzamide is CC(NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-4-[(1-phenylethylamino)methyl]benzamide?
The InChIKey is DRXRKRLRCUCMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17(19-8-4-2-5-9-19)23-16-18-12-14-20(15-13-18)22(25)24-21-10-6-3-7-11-21/h2-15,17,23H,16H2,1H3,(H,24,25).
What are the key properties of N-phenyl-4-[(1-phenylethylamino)methyl]benzamide?
N-phenyl-4-[(1-phenylethylamino)methyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(1-phenylethylamino)methyl]benzamide is sourced from PubChem (CID 17476101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).