N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide

C14H19NO2 — CID 63294170

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCC(O)C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-10-3-5-12(6-4-10)14(17)15-9-13(16)11-7-8-11/h3-6,11,13,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyNNHFOIMRGCCBGP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide (PubChem CID 63294170) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
PubChem CID63294170
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCC(O)C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-10-3-5-12(6-4-10)14(17)15-9-13(16)11-7-8-11/h3-6,11,13,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyNNHFOIMRGCCBGP-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 63294918
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide (CID 63294170) is N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide is CCc1ccc(C(=O)NCC(O)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide?
The InChIKey is NNHFOIMRGCCBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-10-3-5-12(6-4-10)14(17)15-9-13(16)11-7-8-11/h3-6,11,13,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide is sourced from PubChem (CID 63294170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).