2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C19H27NO4 — CID 22687528

IUPAC2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCOc1ccc(CCNC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C19H27NO4/c1-2-13-24-15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19(22)23/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyMUVJAUZQLTZBPV-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.03
Rot. Bonds8

About 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22687528) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22687528
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCOc1ccc(CCNC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C19H27NO4/c1-2-13-24-15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19(22)23/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyMUVJAUZQLTZBPV-UHFFFAOYSA-N
XLogP3.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20992239
N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015298
2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22684450
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
2-[2-[4-(3-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20992942
2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20984831
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974527
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56970029
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 22687528) is 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCCOc1ccc(CCNC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is MUVJAUZQLTZBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-2-13-24-15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19(22)23/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22687528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).