N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide

C24H25NO2 — CID 23344325

IUPACN-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide
SMILESCc1cc(CCO)c(C(=O)NCc2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C24H25NO2/c1-17-15-21(13-14-26)23(22(18(17)2)20-11-7-4-8-12-20)24(27)25-16-19-9-5-3-6-10-19/h3-12,15,26H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyLKDVDFJTVCMYEM-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.44
Rot. Bonds6

About N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide

N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide (PubChem CID 23344325) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide
PubChem CID23344325
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide
SMILESCc1cc(CCO)c(C(=O)NCc2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C24H25NO2/c1-17-15-21(13-14-26)23(22(18(17)2)20-11-7-4-8-12-20)24(27)25-16-19-9-5-3-6-10-19/h3-12,15,26H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyLKDVDFJTVCMYEM-UHFFFAOYSA-N
XLogP4.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-6-(2-hydroxyethyl)-3-methoxy-2-(2-methoxyphenyl)benzamide
CID 23344374
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
N-benzyl-2,4,5-triphenylfuran-3-carboxamide
CID 132516883
N-benzyl-2-(2-hydroxypropyl)-6-phenylbenzamide
CID 23344318
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-2-(3-methyl-2-phenylquinolin-4-yl)acetamide
CID 139934118
N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118663086
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
3-amino-N-benzyl-4-methylbenzamide
CID 12607982

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide?
The IUPAC name of N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide (CID 23344325) is N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide.
What is the SMILES notation for N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide?
The canonical SMILES for N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide is Cc1cc(CCO)c(C(=O)NCc2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide?
The InChIKey is LKDVDFJTVCMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17-15-21(13-14-26)23(22(18(17)2)20-11-7-4-8-12-20)24(27)25-16-19-9-5-3-6-10-19/h3-12,15,26H,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide?
N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide is sourced from PubChem (CID 23344325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).