N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide

C17H19NO2 — CID 43416665

IUPACN-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C17H19NO2/c1-11-4-5-12(2)16(10-11)17(20)18-15-8-6-14(7-9-15)13(3)19/h4-10,13,19H,1-3H3,(H,18,20)
InChIKeyCBMHCZFLVJCNEL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.61
Rot. Bonds3

About N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide

N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide (PubChem CID 43416665) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
PubChem CID43416665
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C17H19NO2/c1-11-4-5-12(2)16(10-11)17(20)18-15-8-6-14(7-9-15)13(3)19/h4-10,13,19H,1-3H3,(H,18,20)
InChIKeyCBMHCZFLVJCNEL-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 81477970
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide (CID 43416665) is N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(C(C)O)cc2)c1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide?
The InChIKey is CBMHCZFLVJCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-4-5-12(2)16(10-11)17(20)18-15-8-6-14(7-9-15)13(3)19/h4-10,13,19H,1-3H3,(H,18,20).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide?
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 43416665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).