2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid

C17H23NO3 — CID 80549547

IUPAC2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,16(20)21)13-8-10-14(11-9-13)18-15(19)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySNWFSXJTARKHFN-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.57
Rot. Bonds4

About 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid

2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid (PubChem CID 80549547) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
PubChem CID80549547
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,16(20)21)13-8-10-14(11-9-13)18-15(19)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySNWFSXJTARKHFN-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80549745
2-[4-(azetidine-3-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80554661
2-methyl-2-[4-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119254310
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119254003
N-[4-(2-bromo-2-methylpropanoyl)phenyl]cyclohexanecarboxamide
CID 82258980
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid (CID 80549547) is 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid?
The InChIKey is SNWFSXJTARKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,16(20)21)13-8-10-14(11-9-13)18-15(19)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid?
2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 80549547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).