2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

C17H23NO3 — CID 120975956

IUPAC2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccccc1CC(C)(C)NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C17H23NO3/c1-11-6-4-5-7-12(11)10-17(2,3)18-15(19)13-8-9-14(13)16(20)21/h4-7,13-14H,8-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMHHLDGVBBVLHSN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975956) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975956
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccccc1CC(C)(C)NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C17H23NO3/c1-11-6-4-5-7-12(11)10-17(2,3)18-15(19)13-8-9-14(13)16(20)21/h4-7,13-14H,8-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMHHLDGVBBVLHSN-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
2-(4-aminophenyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide
CID 119774393
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea
CID 95316137
4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide
CID 119318192
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
CID 116558532
N'-[2-(2-methylphenyl)acetyl]cyclopropanecarbohydrazide
CID 34261074
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975956) is 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is Cc1ccccc1CC(C)(C)NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MHHLDGVBBVLHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-6-4-5-7-12(11)10-17(2,3)18-15(19)13-8-9-14(13)16(20)21/h4-7,13-14H,8-10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).