5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid

C16H21NO5 — CID 131994752

IUPAC5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)NC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C16H21NO5/c1-21-13-9-14(22-2)12(16(19)20)8-11(13)15(18)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySNDZTCIDMZBLOT-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.46
Rot. Bonds5

About 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid

5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid (PubChem CID 131994752) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
PubChem CID131994752
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)NC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C16H21NO5/c1-21-13-9-14(22-2)12(16(19)20)8-11(13)15(18)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySNDZTCIDMZBLOT-UHFFFAOYSA-N
XLogP2.46
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid?
The IUPAC name of 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid (CID 131994752) is 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid?
The canonical SMILES for 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid is COc1cc(OC)c(C(=O)NC2CCCCC2)cc1C(=O)O.
What is the InChIKey of 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid?
The InChIKey is SNDZTCIDMZBLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-13-9-14(22-2)12(16(19)20)8-11(13)15(18)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid?
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid has a molecular weight of 307.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 131994752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).