2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide

C17H25NO3 — CID 46590599

IUPAC2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC2CCCCC2)c1OC
InChIInChI=1S/C17H25NO3/c1-20-15-10-6-9-14(17(15)21-2)12-18-16(19)11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyALAWNKKVOCINOP-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.29
Rot. Bonds6

About 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide

2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide (PubChem CID 46590599) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
PubChem CID46590599
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC2CCCCC2)c1OC
InChIInChI=1S/C17H25NO3/c1-20-15-10-6-9-14(17(15)21-2)12-18-16(19)11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyALAWNKKVOCINOP-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
CID 140989777
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide (CID 46590599) is 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CC2CCCCC2)c1OC.
What is the InChIKey of 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The InChIKey is ALAWNKKVOCINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-10-6-9-14(17(15)21-2)12-18-16(19)11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46590599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).