4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid

C17H23NO4 — CID 120673460

IUPAC4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC(O)Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO4/c19-15(10-12-4-2-1-3-5-12)11-18-16(20)13-6-8-14(9-7-13)17(21)22/h1-5,13-15,19H,6-11H2,(H,18,20)(H,21,22)
InChIKeyAMEPHRDNFMXVKC-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.60
Rot. Bonds6

About 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673460) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673460
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC(O)Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO4/c19-15(10-12-4-2-1-3-5-12)11-18-16(20)13-6-8-14(9-7-13)17(21)22/h1-5,13-15,19H,6-11H2,(H,18,20)(H,21,22)
InChIKeyAMEPHRDNFMXVKC-UHFFFAOYSA-N
XLogP1.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
N-(2-hydroxy-3-phenylpropyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 111102602
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102382
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111102571
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673460) is 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCC(O)Cc2ccccc2)CC1.
What is the InChIKey of 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is AMEPHRDNFMXVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-15(10-12-4-2-1-3-5-12)11-18-16(20)13-6-8-14(9-7-13)17(21)22/h1-5,13-15,19H,6-11H2,(H,18,20)(H,21,22).
What are the key properties of 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).