2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide

C20H29NO3 — CID 12004064

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide
SMILESCOc1cc(CC(=O)NC2CCC(=CCC(C)C)CC2)ccc1O
InChIInChI=1S/C20H29NO3/c1-14(2)4-5-15-6-9-17(10-7-15)21-20(23)13-16-8-11-18(22)19(12-16)24-3/h5,8,11-12,14,17,22H,4,6-7,9-10,13H2,1-3H3,(H,21,23)/b15-5-
InChIKeyAPQINPKLOLYLFY-WCSRMQSCSA-N
MW331.46 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide

2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide (PubChem CID 12004064) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide
PubChem CID12004064
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide
SMILESCOc1cc(CC(=O)NC2CCC(=CCC(C)C)CC2)ccc1O
InChIInChI=1S/C20H29NO3/c1-14(2)4-5-15-6-9-17(10-7-15)21-20(23)13-16-8-11-18(22)19(12-16)24-3/h5,8,11-12,14,17,22H,4,6-7,9-10,13H2,1-3H3,(H,21,23)/b15-5-
InChIKeyAPQINPKLOLYLFY-WCSRMQSCSA-N
XLogP3.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide (CID 12004064) is 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide is COc1cc(CC(=O)NC2CCC(=CCC(C)C)CC2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide?
The InChIKey is APQINPKLOLYLFY-WCSRMQSCSA-N. The full InChI is InChI=1S/C20H29NO3/c1-14(2)4-5-15-6-9-17(10-7-15)21-20(23)13-16-8-11-18(22)19(12-16)24-3/h5,8,11-12,14,17,22H,4,6-7,9-10,13H2,1-3H3,(H,21,23)/b15-5-.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide is sourced from PubChem (CID 12004064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).