2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid

C16H21NO3 — CID 120975840

IUPAC2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCC1C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C16H21NO3/c1-3-14(11-6-4-10(2)5-7-11)17-15(18)12-8-9-13(12)16(19)20/h4-7,12-14H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVINAVXFCTYELFI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.67
Rot. Bonds5

About 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975840) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975840
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCC1C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C16H21NO3/c1-3-14(11-6-4-10(2)5-7-11)17-15(18)12-8-9-13(12)16(19)20/h4-7,12-14H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVINAVXFCTYELFI-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550181
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799
methyl 3-[(2-methylcyclopropanecarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 42920466

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975840) is 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid is CCC(NC(=O)C1CCC1C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is VINAVXFCTYELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-14(11-6-4-10(2)5-7-11)17-15(18)12-8-9-13(12)16(19)20/h4-7,12-14H,3,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).