N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide

C17H25NO3 — CID 134010441

IUPACN-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
SMILESCCN(C(=O)c1cccc(OC)c1OC)C1CCCCC1
InChIInChI=1S/C17H25NO3/c1-4-18(13-9-6-5-7-10-13)17(19)14-11-8-12-15(20-2)16(14)21-3/h8,11-13H,4-7,9-10H2,1-3H3
InChIKeyKHCOCGGSLQWENY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.50
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide

N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide (PubChem CID 134010441) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
PubChem CID134010441
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
SMILESCCN(C(=O)c1cccc(OC)c1OC)C1CCCCC1
InChIInChI=1S/C17H25NO3/c1-4-18(13-9-6-5-7-10-13)17(19)14-11-8-12-15(20-2)16(14)21-3/h8,11-13H,4-7,9-10H2,1-3H3
InChIKeyKHCOCGGSLQWENY-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide (CID 134010441) is N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide is CCN(C(=O)c1cccc(OC)c1OC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide?
The InChIKey is KHCOCGGSLQWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-18(13-9-6-5-7-10-13)17(19)14-11-8-12-15(20-2)16(14)21-3/h8,11-13H,4-7,9-10H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide?
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide is sourced from PubChem (CID 134010441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).