4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid

C18H26N2O4 — CID 122017282

IUPAC4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H26N2O4/c1-11-4-9-16(24-3)15(10-11)12(2)19-18(23)20-14-7-5-13(6-8-14)17(21)22/h4,9-10,12-14H,5-8H2,1-3H3,(H,21,22)(H2,19,20,23)/t12-,13?,14?/m0/s1
InChIKeyPCFRAKWSGKGBPR-HSBZDZAISA-N
MW334.42 g/mol
LogP3.01
Rot. Bonds5

About 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122017282) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122017282
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H26N2O4/c1-11-4-9-16(24-3)15(10-11)12(2)19-18(23)20-14-7-5-13(6-8-14)17(21)22/h4,9-10,12-14H,5-8H2,1-3H3,(H,21,22)(H2,19,20,23)/t12-,13?,14?/m0/s1
InChIKeyPCFRAKWSGKGBPR-HSBZDZAISA-N
XLogP3.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]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

1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006275
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
1-cyclobutyl-3-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 119153551
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122017282) is 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid is COc1ccc(C)cc1[C@H](C)NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is PCFRAKWSGKGBPR-HSBZDZAISA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11-4-9-16(24-3)15(10-11)12(2)19-18(23)20-14-7-5-13(6-8-14)17(21)22/h4,9-10,12-14H,5-8H2,1-3H3,(H,21,22)(H2,19,20,23)/t12-,13?,14?/m0/s1.
What are the key properties of 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122017282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).