4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid

C19H25NO3 — CID 120673788

IUPAC4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C19H25NO3/c21-18(15-8-10-16(11-9-15)19(22)23)20-17(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2,(H,20,21)(H,22,23)
InChIKeyFXGXVFKBVSPGNQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.01
Rot. Bonds6

About 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673788) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673788
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C19H25NO3/c21-18(15-8-10-16(11-9-15)19(22)23)20-17(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2,(H,20,21)(H,22,23)
InChIKeyFXGXVFKBVSPGNQ-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
CID 95632147
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685714
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119615242
7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
CID 119796894

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673788) is 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC(Cc2ccccc2)C2CC2)CC1.
What is the InChIKey of 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FXGXVFKBVSPGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(15-8-10-16(11-9-15)19(22)23)20-17(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14-17H,6-12H2,(H,20,21)(H,22,23).
What are the key properties of 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).