2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C23H27NO5 — CID 20984831

IUPAC2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(Oc2ccc(CCNC(=O)C3CCCCC3C(=O)O)cc2)c1
InChIInChI=1S/C23H27NO5/c1-28-18-5-4-6-19(15-18)29-17-11-9-16(10-12-17)13-14-24-22(25)20-7-2-3-8-21(20)23(26)27/h4-6,9-12,15,20-21H,2-3,7-8,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyRKWADHQEUJHKNO-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.04
Rot. Bonds8

About 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 20984831) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID20984831
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(Oc2ccc(CCNC(=O)C3CCCCC3C(=O)O)cc2)c1
InChIInChI=1S/C23H27NO5/c1-28-18-5-4-6-19(15-18)29-17-11-9-16(10-12-17)13-14-24-22(25)20-7-2-3-8-21(20)23(26)27/h4-6,9-12,15,20-21H,2-3,7-8,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyRKWADHQEUJHKNO-UHFFFAOYSA-N
XLogP4.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(3-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20992942
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
2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22687528
(1S,6R)-6-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 737691
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20992239
2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20990188
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 20984831) is 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is COc1cccc(Oc2ccc(CCNC(=O)C3CCCCC3C(=O)O)cc2)c1.
What is the InChIKey of 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RKWADHQEUJHKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-28-18-5-4-6-19(15-18)29-17-11-9-16(10-12-17)13-14-24-22(25)20-7-2-3-8-21(20)23(26)27/h4-6,9-12,15,20-21H,2-3,7-8,13-14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 397.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 20984831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).