2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide

C20H29NO4 — CID 90359222

IUPAC2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1cc(OC)cc(C(=O)CN(C)C(=O)C(C)C2CCCCC2)c1
InChIInChI=1S/C20H29NO4/c1-14(15-8-6-5-7-9-15)20(23)21(2)13-19(22)16-10-17(24-3)12-18(11-16)25-4/h10-12,14-15H,5-9,13H2,1-4H3
InChIKeyNYCNUCIRJWKHFV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.56
Rot. Bonds7

About 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide

2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide (PubChem CID 90359222) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide
PubChem CID90359222
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1cc(OC)cc(C(=O)CN(C)C(=O)C(C)C2CCCCC2)c1
InChIInChI=1S/C20H29NO4/c1-14(15-8-6-5-7-9-15)20(23)21(2)13-19(22)16-10-17(24-3)12-18(11-16)25-4/h10-12,14-15H,5-9,13H2,1-4H3
InChIKeyNYCNUCIRJWKHFV-UHFFFAOYSA-N
XLogP3.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid
CID 90358271
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
CID 78324505
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7899467
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 99794728
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119820817
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide (CID 90359222) is 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide is COc1cc(OC)cc(C(=O)CN(C)C(=O)C(C)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is NYCNUCIRJWKHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(15-8-6-5-7-9-15)20(23)21(2)13-19(22)16-10-17(24-3)12-18(11-16)25-4/h10-12,14-15H,5-9,13H2,1-4H3.
What are the key properties of 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide?
2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 90359222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).