4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid

C18H25NO4 — CID 120672729

IUPAC4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(OC(C)CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO4/c1-12-3-9-16(10-4-12)23-13(2)11-19-17(20)14-5-7-15(8-6-14)18(21)22/h3-4,9-10,13-15H,5-8,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRLGXIEBPDRASFB-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.77
Rot. Bonds6

About 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672729) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672729
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(OC(C)CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO4/c1-12-3-9-16(10-4-12)23-13(2)11-19-17(20)14-5-7-15(8-6-14)18(21)22/h3-4,9-10,13-15H,5-8,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRLGXIEBPDRASFB-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
(1S)-3,3-difluoro-N-[(2S)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 124874517
(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 124874507
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672729) is 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(OC(C)CNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RLGXIEBPDRASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12-3-9-16(10-4-12)23-13(2)11-19-17(20)14-5-7-15(8-6-14)18(21)22/h3-4,9-10,13-15H,5-8,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).