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

C18H25NO4 — CID 120673043

IUPAC4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1cccc(C(C)NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO4/c1-3-23-16-6-4-5-15(11-16)12(2)19-17(20)13-7-9-14(10-8-13)18(21)22/h4-6,11-14H,3,7-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCKIDRFIVFPIDEW-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.15
Rot. Bonds6

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

4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673043) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673043
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1cccc(C(C)NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO4/c1-3-23-16-6-4-5-15(11-16)12(2)19-17(20)13-7-9-14(10-8-13)18(21)22/h4-6,11-14H,3,7-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCKIDRFIVFPIDEW-UHFFFAOYSA-N
XLogP3.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
cis-(1S,3R)-3-[1-(3-ethoxyphenyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065439
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95019921
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673043) is 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCOc1cccc(C(C)NC(=O)C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CKIDRFIVFPIDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-23-16-6-4-5-15(11-16)12(2)19-17(20)13-7-9-14(10-8-13)18(21)22/h4-6,11-14H,3,7-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).