N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide

C11H14N2O3 — CID 140968714

IUPACN-(1-hydroxyethylcarbamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=O)NC(C)O)cc1
InChIInChI=1S/C11H14N2O3/c1-7-3-5-9(6-4-7)10(15)13-11(16)12-8(2)14/h3-6,8,14H,1-2H3,(H2,12,13,15,16)
InChIKeyOUFUMQPHUWEMCA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.77
Rot. Bonds2

About N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide

N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide (PubChem CID 140968714) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxyethylcarbamoyl)-4-methylbenzamide
PubChem CID140968714
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(1-hydroxyethylcarbamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=O)NC(C)O)cc1
InChIInChI=1S/C11H14N2O3/c1-7-3-5-9(6-4-7)10(15)13-11(16)12-8(2)14/h3-6,8,14H,1-2H3,(H2,12,13,15,16)
InChIKeyOUFUMQPHUWEMCA-UHFFFAOYSA-N
XLogP0.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
(4-methylbenzoyl)carbamic acid
CID 89120559
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide?
The IUPAC name of N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide (CID 140968714) is N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide?
The canonical SMILES for N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(=O)NC(C)O)cc1.
What is the InChIKey of N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide?
The InChIKey is OUFUMQPHUWEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-3-5-9(6-4-7)10(15)13-11(16)12-8(2)14/h3-6,8,14H,1-2H3,(H2,12,13,15,16).
What are the key properties of N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide?
N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide has a molecular weight of 222.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide is sourced from PubChem (CID 140968714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).