4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid

C18H26N2O4 — CID 122003330

IUPAC4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H26N2O4/c21-12-4-7-16(13-5-2-1-3-6-13)20-18(24)19-15-10-8-14(9-11-15)17(22)23/h1-3,5-6,14-16,21H,4,7-12H2,(H,22,23)(H2,19,20,24)
InChIKeyQOSCFGAUWLRFLM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.44
Rot. Bonds7

About 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122003330) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122003330
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H26N2O4/c21-12-4-7-16(13-5-2-1-3-6-13)20-18(24)19-15-10-8-14(9-11-15)17(22)23/h1-3,5-6,14-16,21H,4,7-12H2,(H,22,23)(H2,19,20,24)
InChIKeyQOSCFGAUWLRFLM-UHFFFAOYSA-N
XLogP2.44
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyano-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015313
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
CID 111453791
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006512
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122003330) is 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC(CCCO)c1ccccc1.
What is the InChIKey of 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QOSCFGAUWLRFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-12-4-7-16(13-5-2-1-3-6-13)20-18(24)19-15-10-8-14(9-11-15)17(22)23/h1-3,5-6,14-16,21H,4,7-12H2,(H,22,23)(H2,19,20,24).
What are the key properties of 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122003330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).