2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid

C16H22N2O3 — CID 62536719

IUPAC2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid
SMILESCC1(NC(=O)Nc2ccccc2CC(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-16(9-5-2-6-10-16)18-15(21)17-13-8-4-3-7-12(13)11-14(19)20/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyPNVALIXDWPNANG-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid

2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid (PubChem CID 62536719) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid
PubChem CID62536719
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid
SMILESCC1(NC(=O)Nc2ccccc2CC(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-16(9-5-2-6-10-16)18-15(21)17-13-8-4-3-7-12(13)11-14(19)20/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyPNVALIXDWPNANG-UHFFFAOYSA-N
XLogP3.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[(1-methylcyclohexyl)amino]methyl]phenyl]acetic acid
CID 115461860
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 62534206
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
CID 62535532
4-bromo-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64686873
5-iodo-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687267
2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
CID 62536151
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid (CID 62536719) is 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid is CC1(NC(=O)Nc2ccccc2CC(=O)O)CCCCC1.
What is the InChIKey of 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is PNVALIXDWPNANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(9-5-2-6-10-16)18-15(21)17-13-8-4-3-7-12(13)11-14(19)20/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid?
2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 62536719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).