4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide

C19H23NO2 — CID 46989736

IUPAC4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
SMILESCc1cccc(CN(C(=O)c2ccc(CO)cc2)C(C)C)c1
InChIInChI=1S/C19H23NO2/c1-14(2)20(12-17-6-4-5-15(3)11-17)19(22)18-9-7-16(13-21)8-10-18/h4-11,14,21H,12-13H2,1-3H3
InChIKeyASHALVGGAQCGMA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.54
Rot. Bonds5

About 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide

4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide (PubChem CID 46989736) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
PubChem CID46989736
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
SMILESCc1cccc(CN(C(=O)c2ccc(CO)cc2)C(C)C)c1
InChIInChI=1S/C19H23NO2/c1-14(2)20(12-17-6-4-5-15(3)11-17)19(22)18-9-7-16(13-21)8-10-18/h4-11,14,21H,12-13H2,1-3H3
InChIKeyASHALVGGAQCGMA-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
CID 50979991
4-tert-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 3453162
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 118246688
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 43460190
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide (CID 46989736) is 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide is Cc1cccc(CN(C(=O)c2ccc(CO)cc2)C(C)C)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is ASHALVGGAQCGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)20(12-17-6-4-5-15(3)11-17)19(22)18-9-7-16(13-21)8-10-18/h4-11,14,21H,12-13H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide?
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46989736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).