methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate

C16H21NO4 — CID 115617221

IUPACmethyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C16H21NO4/c1-20-14-5-3-4-12(10-14)15(18)17-13-8-6-11(7-9-13)16(19)21-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,17,18)
InChIKeyJGBJAMLOEWPDGS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.16
Rot. Bonds4

About methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate

methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate (PubChem CID 115617221) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
PubChem CID115617221
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C16H21NO4/c1-20-14-5-3-4-12(10-14)15(18)17-13-8-6-11(7-9-13)16(19)21-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,17,18)
InChIKeyJGBJAMLOEWPDGS-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-methoxybenzamide
CID 900156
methyl 4-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617105
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate (CID 115617221) is methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate?
The InChIKey is JGBJAMLOEWPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-14-5-3-4-12(10-14)15(18)17-13-8-6-11(7-9-13)16(19)21-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).