4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C17H24N2O5 — CID 122079533

IUPAC4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(OC)cc1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O5/c1-3-24-15-9-8-13(23-2)10-14(15)19-17(22)18-12-6-4-11(5-7-12)16(20)21/h8-12H,3-7H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyBUPMLXQNMJDLEP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.86
Rot. Bonds6

About 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122079533) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122079533
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(OC)cc1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O5/c1-3-24-15-9-8-13(23-2)10-14(15)19-17(22)18-12-6-4-11(5-7-12)16(20)21/h8-12H,3-7H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyBUPMLXQNMJDLEP-UHFFFAOYSA-N
XLogP2.86
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 122079532
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
cis-methyl (1S,3R)-3-[(5-cyano-2-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 122148663
4-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075338
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006870

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122079533) is 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is CCOc1ccc(OC)cc1NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is BUPMLXQNMJDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-24-15-9-8-13(23-2)10-14(15)19-17(22)18-12-6-4-11(5-7-12)16(20)21/h8-12H,3-7H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122079533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).