cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate

C16H21NO2 — CID 71733812

IUPACcyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate
SMILESCc1ccccc1N/C=C\C(=O)OC1CCCCC1
InChIInChI=1S/C16H21NO2/c1-13-7-5-6-10-15(13)17-12-11-16(18)19-14-8-3-2-4-9-14/h5-7,10-12,14,17H,2-4,8-9H2,1H3/b12-11-
InChIKeyDUFOKXHKKLPFKP-QXMHVHEDSA-N
MW259.35 g/mol
LogP3.80
Rot. Bonds4

About cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate

cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate (PubChem CID 71733812) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate
PubChem CID71733812
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namecyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate
SMILESCc1ccccc1N/C=C\C(=O)OC1CCCCC1
InChIInChI=1S/C16H21NO2/c1-13-7-5-6-10-15(13)17-12-11-16(18)19-14-8-3-2-4-9-14/h5-7,10-12,14,17H,2-4,8-9H2,1H3/b12-11-
InChIKeyDUFOKXHKKLPFKP-QXMHVHEDSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
CID 66902675
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
sodium;dicyclohexyl (Z)-but-2-enedioate;hydride
CID 174767941
cyclohexyl 2-(methylamino)benzoate
CID 61278808
cyclohexyl (E)-3-(2-methylsulfinylphenyl)prop-2-enoate
CID 102221027
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
1-(4-bromophenyl)-3-(2-methylanilino)prop-2-en-1-one
CID 799106
(E)-1-(4-butoxyphenyl)-3-(2-methylanilino)prop-2-en-1-one
CID 51045660
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
methyl (E)-4-(2-methylanilino)-4-oxobut-2-enoate
CID 12621199

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate?
The IUPAC name of cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate (CID 71733812) is cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate.
What is the SMILES notation for cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate?
The canonical SMILES for cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate is Cc1ccccc1N/C=C\C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate?
The InChIKey is DUFOKXHKKLPFKP-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-7-5-6-10-15(13)17-12-11-16(18)19-14-8-3-2-4-9-14/h5-7,10-12,14,17H,2-4,8-9H2,1H3/b12-11-.
What are the key properties of cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate?
cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate has a molecular weight of 259.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (Z)-3-(2-methylanilino)prop-2-enoate is sourced from PubChem (CID 71733812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).