4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide

C20H31NO3 — CID 85020035

IUPAC4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C20H31NO3/c1-15(18-14-17(23-2)12-13-19(18)24-3)21-20(22)11-7-10-16-8-5-4-6-9-16/h12-16H,4-11H2,1-3H3,(H,21,22)
InChIKeyWMOBLWFJWILORM-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.63
Rot. Bonds8

About 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide

4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide (PubChem CID 85020035) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
PubChem CID85020035
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C20H31NO3/c1-15(18-14-17(23-2)12-13-19(18)24-3)21-20(22)11-7-10-16-8-5-4-6-9-16/h12-16H,4-11H2,1-3H3,(H,21,22)
InChIKeyWMOBLWFJWILORM-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butanamide
CID 94463951
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558356
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131949482
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide (CID 85020035) is 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide is COc1ccc(OC)c(C(C)NC(=O)CCCC2CCCCC2)c1.
What is the InChIKey of 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide?
The InChIKey is WMOBLWFJWILORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-15(18-14-17(23-2)12-13-19(18)24-3)21-20(22)11-7-10-16-8-5-4-6-9-16/h12-16H,4-11H2,1-3H3,(H,21,22).
What are the key properties of 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide?
4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide has a molecular weight of 333.47 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 85020035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).