2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

C16H21NO3 — CID 120977341

IUPAC2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)c1ccc(N(C)C(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C16H21NO3/c1-10(2)11-4-6-12(7-5-11)17(3)15(18)13-8-9-14(13)16(19)20/h4-7,10,13-14H,8-9H2,1-3H3,(H,19,20)
InChIKeyTVCMKPYYLZTEIW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.88
Rot. Bonds4

About 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977341) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977341
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)c1ccc(N(C)C(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C16H21NO3/c1-10(2)11-4-6-12(7-5-11)17(3)15(18)13-8-9-14(13)16(19)20/h4-7,10,13-14H,8-9H2,1-3H3,(H,19,20)
InChIKeyTVCMKPYYLZTEIW-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807722
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150526
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
2-[methyl-(4-methylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165374
N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide
CID 115177573
2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738210
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120977341) is 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is CC(C)c1ccc(N(C)C(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is TVCMKPYYLZTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(2)11-4-6-12(7-5-11)17(3)15(18)13-8-9-14(13)16(19)20/h4-7,10,13-14H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).