N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide

C22H33NO3 — CID 55594402

IUPACN-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
SMILESCCC1CCC(N(C(=O)CCc2ccc(OC)c(OC)c2)C2CC2)CC1
InChIInChI=1S/C22H33NO3/c1-4-16-5-9-18(10-6-16)23(19-11-12-19)22(24)14-8-17-7-13-20(25-2)21(15-17)26-3/h7,13,15-16,18-19H,4-6,8-12,14H2,1-3H3
InChIKeyULCNPSLXWHIQID-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.60
Rot. Bonds8

About N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide

N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide (PubChem CID 55594402) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
PubChem CID55594402
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC NameN-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
SMILESCCC1CCC(N(C(=O)CCc2ccc(OC)c(OC)c2)C2CC2)CC1
InChIInChI=1S/C22H33NO3/c1-4-16-5-9-18(10-6-16)23(19-11-12-19)22(24)14-8-17-7-13-20(25-2)21(15-17)26-3/h7,13,15-16,18-19H,4-6,8-12,14H2,1-3H3
InChIKeyULCNPSLXWHIQID-UHFFFAOYSA-N
XLogP4.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
CID 84559233
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134060945
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(3,4-dimethoxyphenyl)propanamide
CID 39738565
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368
4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
CID 64749126
N'-[3-(3,4-dimethoxyphenyl)propanoyl]cyclopropanecarbohydrazide
CID 26798763
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide (CID 55594402) is N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide is CCC1CCC(N(C(=O)CCc2ccc(OC)c(OC)c2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide?
The InChIKey is ULCNPSLXWHIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-4-16-5-9-18(10-6-16)23(19-11-12-19)22(24)14-8-17-7-13-20(25-2)21(15-17)26-3/h7,13,15-16,18-19H,4-6,8-12,14H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide?
N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide has a molecular weight of 359.51 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide is sourced from PubChem (CID 55594402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).