N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide

C14H19NO2 — CID 43576906

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(CCO)C2CC2)cc1C
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(9-11(10)2)14(17)15(7-8-16)13-5-6-13/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyNUENKEANNVDJCG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds4

About N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide

N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide (PubChem CID 43576906) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
PubChem CID43576906
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(CCO)C2CC2)cc1C
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(9-11(10)2)14(17)15(7-8-16)13-5-6-13/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyNUENKEANNVDJCG-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 81476873
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide (CID 43576906) is N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)N(CCO)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide?
The InChIKey is NUENKEANNVDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-12(9-11(10)2)14(17)15(7-8-16)13-5-6-13/h3-4,9,13,16H,5-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 43576906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).