cyclohexyl 2-(4-methoxyanilino)propanoate

C16H23NO3 — CID 175094894

IUPACcyclohexyl 2-(4-methoxyanilino)propanoate
SMILESCOc1ccc(NC(C)C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(16(18)20-15-6-4-3-5-7-15)17-13-8-10-14(19-2)11-9-13/h8-12,15,17H,3-7H2,1-2H3
InChIKeyCMMCDVCTDHDYFV-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.37
Rot. Bonds5

About cyclohexyl 2-(4-methoxyanilino)propanoate

cyclohexyl 2-(4-methoxyanilino)propanoate (PubChem CID 175094894) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is cyclohexyl 2-(4-methoxyanilino)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-methoxyanilino)propanoate
PubChem CID175094894
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namecyclohexyl 2-(4-methoxyanilino)propanoate
SMILESCOc1ccc(NC(C)C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(16(18)20-15-6-4-3-5-7-15)17-13-8-10-14(19-2)11-9-13/h8-12,15,17H,3-7H2,1-2H3
InChIKeyCMMCDVCTDHDYFV-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[4-(4-methoxyphenyl)anilino]propanoate;hydrochloride
CID 67578447
cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate
CID 174496709
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748
benzyl 2-(4-methoxyanilino)propanoate
CID 164679734
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
CID 2351355
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
CID 175065739
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-methoxyanilino)propanoate?
The IUPAC name of cyclohexyl 2-(4-methoxyanilino)propanoate (CID 175094894) is cyclohexyl 2-(4-methoxyanilino)propanoate.
What is the SMILES notation for cyclohexyl 2-(4-methoxyanilino)propanoate?
The canonical SMILES for cyclohexyl 2-(4-methoxyanilino)propanoate is COc1ccc(NC(C)C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 2-(4-methoxyanilino)propanoate?
The InChIKey is CMMCDVCTDHDYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(16(18)20-15-6-4-3-5-7-15)17-13-8-10-14(19-2)11-9-13/h8-12,15,17H,3-7H2,1-2H3.
What are the key properties of cyclohexyl 2-(4-methoxyanilino)propanoate?
cyclohexyl 2-(4-methoxyanilino)propanoate has a molecular weight of 277.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-methoxyanilino)propanoate is sourced from PubChem (CID 175094894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).