N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide

C16H17NO3 — CID 111116241

IUPACN-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OCCO)cc1
InChIInChI=1S/C16H17NO3/c1-12-4-2-3-5-15(12)16(19)17-13-6-8-14(9-7-13)20-11-10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeySMQZAOAKMIBMCV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.62
Rot. Bonds5

About N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide

N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide (PubChem CID 111116241) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
PubChem CID111116241
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OCCO)cc1
InChIInChI=1S/C16H17NO3/c1-12-4-2-3-5-15(12)16(19)17-13-6-8-14(9-7-13)20-11-10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeySMQZAOAKMIBMCV-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
2-chloro-N-[4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxamide
CID 111113147
2-amino-3-methyl-N-(4-propoxyphenyl)benzamide
CID 62329162
N-[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 23095715
N-[4-[[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide
CID 17353928
N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
CID 112980901
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55658200
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide (CID 111116241) is N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(OCCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide?
The InChIKey is SMQZAOAKMIBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-4-2-3-5-15(12)16(19)17-13-6-8-14(9-7-13)20-11-10-18/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide?
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide is sourced from PubChem (CID 111116241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).