4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide

C16H23NO2 — CID 139420078

IUPAC4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide
SMILESCCC1(c2ccc(C(=O)N(C)CCO)cc2C)CC1
InChIInChI=1S/C16H23NO2/c1-4-16(7-8-16)14-6-5-13(11-12(14)2)15(19)17(3)9-10-18/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyATVRCJIDPDOVRM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

About 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide

4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide (PubChem CID 139420078) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide
PubChem CID139420078
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide
SMILESCCC1(c2ccc(C(=O)N(C)CCO)cc2C)CC1
InChIInChI=1S/C16H23NO2/c1-4-16(7-8-16)14-6-5-13(11-12(14)2)15(19)17(3)9-10-18/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyATVRCJIDPDOVRM-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide
CID 139420413
N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide
CID 139420132
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
4-(1-ethylcyclopropyl)-3-[[5-(4-ethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 139420465
N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
CID 67621245
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
N-(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-N,4-dimethylbenzamide
CID 81475776
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67216147
4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 107672200

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide?
The IUPAC name of 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide (CID 139420078) is 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide is CCC1(c2ccc(C(=O)N(C)CCO)cc2C)CC1.
What is the InChIKey of 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide?
The InChIKey is ATVRCJIDPDOVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-16(7-8-16)14-6-5-13(11-12(14)2)15(19)17(3)9-10-18/h5-6,11,18H,4,7-10H2,1-3H3.
What are the key properties of 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide?
4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 139420078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).