N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide

C22H22N2O2 — CID 110006557

IUPACN-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
SMILESCc1c(NCc2ccc(CO)cc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16-20(23-14-17-10-12-18(15-25)13-11-17)8-5-9-21(16)24-22(26)19-6-3-2-4-7-19/h2-13,23,25H,14-15H2,1H3,(H,24,26)
InChIKeyJTSGGRMSFRFRPP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.35
Rot. Bonds6

About N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide

N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide (PubChem CID 110006557) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
PubChem CID110006557
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
SMILESCc1c(NCc2ccc(CO)cc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16-20(23-14-17-10-12-18(15-25)13-11-17)8-5-9-21(16)24-22(26)19-6-3-2-4-7-19/h2-13,23,25H,14-15H2,1H3,(H,24,26)
InChIKeyJTSGGRMSFRFRPP-UHFFFAOYSA-N
XLogP4.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 78895527
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
benzoic acid;N-benzyl-2,3-dimethylaniline
CID 175448548
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 60539008
N-benzyl-2,3-dimethylaniline;terephthalic acid
CID 175448533
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
CID 119740914

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide (CID 110006557) is N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide is Cc1c(NCc2ccc(CO)cc2)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide?
The InChIKey is JTSGGRMSFRFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-20(23-14-17-10-12-18(15-25)13-11-17)8-5-9-21(16)24-22(26)19-6-3-2-4-7-19/h2-13,23,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide?
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide is sourced from PubChem (CID 110006557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).