N-cyclopropyl-3-ethyl-4-methoxybenzamide

C13H17NO2 — CID 110761892

IUPACN-cyclopropyl-3-ethyl-4-methoxybenzamide
SMILESCCc1cc(C(=O)NC2CC2)ccc1OC
InChIInChI=1S/C13H17NO2/c1-3-9-8-10(4-7-12(9)16-2)13(15)14-11-5-6-11/h4,7-8,11H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyGENAFMNGWFGDFO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds4

About N-cyclopropyl-3-ethyl-4-methoxybenzamide

N-cyclopropyl-3-ethyl-4-methoxybenzamide (PubChem CID 110761892) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-4-methoxybenzamide
PubChem CID110761892
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-cyclopropyl-3-ethyl-4-methoxybenzamide
SMILESCCc1cc(C(=O)NC2CC2)ccc1OC
InChIInChI=1S/C13H17NO2/c1-3-9-8-10(4-7-12(9)16-2)13(15)14-11-5-6-11/h4,7-8,11H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyGENAFMNGWFGDFO-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
methyl 3-(3-ethyl-4-methoxyphenyl)-3-oxopropanoate
CID 95452456
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-3-ethyl-4-methoxybenzamide (CID 110761892) is N-cyclopropyl-3-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-4-methoxybenzamide is CCc1cc(C(=O)NC2CC2)ccc1OC.
What is the InChIKey of N-cyclopropyl-3-ethyl-4-methoxybenzamide?
The InChIKey is GENAFMNGWFGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-8-10(4-7-12(9)16-2)13(15)14-11-5-6-11/h4,7-8,11H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopropyl-3-ethyl-4-methoxybenzamide?
N-cyclopropyl-3-ethyl-4-methoxybenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-4-methoxybenzamide is sourced from PubChem (CID 110761892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).