4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C20H29NO5 — CID 120672678

IUPAC4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCOc1ccc(C(C)NC(=O)C2CCC(C(=O)O)CC2)cc1OC
InChIInChI=1S/C20H29NO5/c1-4-11-26-17-10-9-16(12-18(17)25-3)13(2)21-19(22)14-5-7-15(8-6-14)20(23)24/h9-10,12-15H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyRPYWRNFEPAMKOL-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.55
Rot. Bonds8

About 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672678) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672678
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCOc1ccc(C(C)NC(=O)C2CCC(C(=O)O)CC2)cc1OC
InChIInChI=1S/C20H29NO5/c1-4-11-26-17-10-9-16(12-18(17)25-3)13(2)21-19(22)14-5-7-15(8-6-14)20(23)24/h9-10,12-15H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyRPYWRNFEPAMKOL-UHFFFAOYSA-N
XLogP3.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108796795
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55747807
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583060
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672678) is 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCCOc1ccc(C(C)NC(=O)C2CCC(C(=O)O)CC2)cc1OC.
What is the InChIKey of 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RPYWRNFEPAMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-11-26-17-10-9-16(12-18(17)25-3)13(2)21-19(22)14-5-7-15(8-6-14)20(23)24/h9-10,12-15H,4-8,11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 363.45 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).