2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid

C15H21NO4 — CID 103429282

IUPAC2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
SMILESCOC(C)(C)CNC(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H21NO4/c1-9-6-7-10(2)12(14(18)19)11(9)13(17)16-8-15(3,4)20-5/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyNRPFMBZPWWEJIK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.16
Rot. Bonds5

About 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid

2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid (PubChem CID 103429282) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
PubChem CID103429282
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
SMILESCOC(C)(C)CNC(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H21NO4/c1-9-6-7-10(2)12(14(18)19)11(9)13(17)16-8-15(3,4)20-5/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyNRPFMBZPWWEJIK-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylbutyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429129
5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid
CID 104764730
5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid
CID 104764741
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429010
3,6-dimethyl-2-(2,3,3-trimethylbutylcarbamoyl)benzoic acid
CID 103429237
N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 121494603
2-(4-hydroxybutylcarbamoyl)-3,6-dimethylbenzoic acid
CID 106840416
4-[(2-methoxy-2-methylpropyl)carbamoylamino]-3-methylbenzoic acid
CID 104763986
2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104764740
2-[(3-hydroxy-4-methoxybutyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 106244270
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid?
The IUPAC name of 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid (CID 103429282) is 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid is COC(C)(C)CNC(=O)c1c(C)ccc(C)c1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid?
The InChIKey is NRPFMBZPWWEJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-6-7-10(2)12(14(18)19)11(9)13(17)16-8-15(3,4)20-5/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid?
2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103429282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).