3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid

C18H25NO4 — CID 4729422

IUPAC3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
SMILESCOc1cccc(NC(=O)C2(C)CCC(C)(C(=O)O)C2(C)C)c1
InChIInChI=1S/C18H25NO4/c1-16(2)17(3,9-10-18(16,4)15(21)22)14(20)19-12-7-6-8-13(11-12)23-5/h6-8,11H,9-10H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyQKDHRZNOJMESOM-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.55
Rot. Bonds4

About 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid

3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid (PubChem CID 4729422) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
PubChem CID4729422
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
SMILESCOc1cccc(NC(=O)C2(C)CCC(C)(C(=O)O)C2(C)C)c1
InChIInChI=1S/C18H25NO4/c1-16(2)17(3,9-10-18(16,4)15(21)22)14(20)19-12-7-6-8-13(11-12)23-5/h6-8,11H,9-10H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyQKDHRZNOJMESOM-UHFFFAOYSA-N
XLogP3.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1,2,2,3-tetramethyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 4729479
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-(3-methoxyanilino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80700013
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 4711148

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid (CID 4729422) is 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid is COc1cccc(NC(=O)C2(C)CCC(C)(C(=O)O)C2(C)C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The InChIKey is QKDHRZNOJMESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-16(2)17(3,9-10-18(16,4)15(21)22)14(20)19-12-7-6-8-13(11-12)23-5/h6-8,11H,9-10H2,1-5H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 4729422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).