N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide

C21H31NO3 — CID 78852926

IUPACN-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
SMILESCCC1CCC(N(C(=O)Cc2cc(OC)ccc2OC)C2CC2)CC1
InChIInChI=1S/C21H31NO3/c1-4-15-5-7-17(8-6-15)22(18-9-10-18)21(23)14-16-13-19(24-2)11-12-20(16)25-3/h11-13,15,17-18H,4-10,14H2,1-3H3
InChIKeyODQMZHGEYMGRHY-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.21
Rot. Bonds7

About N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide

N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide (PubChem CID 78852926) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
PubChem CID78852926
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC NameN-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
SMILESCCC1CCC(N(C(=O)Cc2cc(OC)ccc2OC)C2CC2)CC1
InChIInChI=1S/C21H31NO3/c1-4-15-5-7-17(8-6-15)22(18-9-10-18)21(23)14-16-13-19(24-2)11-12-20(16)25-3/h11-13,15,17-18H,4-10,14H2,1-3H3
InChIKeyODQMZHGEYMGRHY-UHFFFAOYSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
CID 55594402
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide
CID 55593600
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120686315
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120690006
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide (CID 78852926) is N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide is CCC1CCC(N(C(=O)Cc2cc(OC)ccc2OC)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide?
The InChIKey is ODQMZHGEYMGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-4-15-5-7-17(8-6-15)22(18-9-10-18)21(23)14-16-13-19(24-2)11-12-20(16)25-3/h11-13,15,17-18H,4-10,14H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide?
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide has a molecular weight of 345.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide is sourced from PubChem (CID 78852926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).