4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 63782486

IUPAC4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO4/c1-17(13-5-3-4-6-14(13)21-2)15(18)11-7-9-12(10-8-11)16(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyRZMXIFBVAJNEAI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.55
Rot. Bonds4

About 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782486) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782486
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO4/c1-17(13-5-3-4-6-14(13)21-2)15(18)11-7-9-12(10-8-11)16(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyRZMXIFBVAJNEAI-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-[(2-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962350
3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835053
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
N-(2-methoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121534
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359
N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
CID 159850642
(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769
1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 113006226
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63782486) is 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is COc1ccccc1N(C)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RZMXIFBVAJNEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(13-5-3-4-6-14(13)21-2)15(18)11-7-9-12(10-8-11)16(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).