N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide

C21H31NO2 — CID 55593600

IUPACN-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide
SMILESCCC1CCC(N(C(=O)CCc2cccc(OC)c2)C2CC2)CC1
InChIInChI=1S/C21H31NO2/c1-3-16-7-10-18(11-8-16)22(19-12-13-19)21(23)14-9-17-5-4-6-20(15-17)24-2/h4-6,15-16,18-19H,3,7-14H2,1-2H3
InChIKeyWRYZTXIQZOEPBC-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.59
Rot. Bonds7

About N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide

N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide (PubChem CID 55593600) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide
PubChem CID55593600
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide
SMILESCCC1CCC(N(C(=O)CCc2cccc(OC)c2)C2CC2)CC1
InChIInChI=1S/C21H31NO2/c1-3-16-7-10-18(11-8-16)22(19-12-13-19)21(23)14-9-17-5-4-6-20(15-17)24-2/h4-6,15-16,18-19H,3,7-14H2,1-2H3
InChIKeyWRYZTXIQZOEPBC-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
CID 55594402
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55763496
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 78852926
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
3-[ethyl-[3-(3-methoxyphenyl)propanoyl]amino]butanoic acid
CID 62827595
5-ethyl-2-[2-(3-methoxyphenyl)ethyl]cycloheptan-1-one
CID 123788448
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide (CID 55593600) is N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide is CCC1CCC(N(C(=O)CCc2cccc(OC)c2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is WRYZTXIQZOEPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-16-7-10-18(11-8-16)22(19-12-13-19)21(23)14-9-17-5-4-6-20(15-17)24-2/h4-6,15-16,18-19H,3,7-14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide?
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 329.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 55593600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).