3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C17H23NO3 — CID 103550612

IUPAC3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ccc(CNC(=O)C2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-11(2)13-5-3-12(4-6-13)10-18-16(19)14-7-8-15(9-14)17(20)21/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPRFVSUZZYUGZGP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.93
Rot. Bonds5

About 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550612) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550612
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ccc(CNC(=O)C2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-11(2)13-5-3-12(4-6-13)10-18-16(19)14-7-8-15(9-14)17(20)21/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPRFVSUZZYUGZGP-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 102779276
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide
CID 66236279

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103550612) is 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CC(C)c1ccc(CNC(=O)C2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PRFVSUZZYUGZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)13-5-3-12(4-6-13)10-18-16(19)14-7-8-15(9-14)17(20)21/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).