(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate

C16H14NO3- — CID 18771371

IUPAC(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate
SMILESCOc1cccc(N/C=C(\C(=O)[O-])c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-20-14-9-5-8-13(10-14)17-11-15(16(18)19)12-6-3-2-4-7-12/h2-11,17H,1H3,(H,18,19)/p-1/b15-11-
InChIKeyWATKLPXCFYNFNS-PTNGSMBKSA-M
MW268.29 g/mol
LogP1.90
Rot. Bonds5

About (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate

(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate (PubChem CID 18771371) has the molecular formula C16H14NO3- and a molecular weight of 268.29 g/mol. Its IUPAC name is (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate
PubChem CID18771371
Molecular FormulaC16H14NO3-
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate
SMILESCOc1cccc(N/C=C(\C(=O)[O-])c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-20-14-9-5-8-13(10-14)17-11-15(16(18)19)12-6-3-2-4-7-12/h2-11,17H,1H3,(H,18,19)/p-1/b15-11-
InChIKeyWATKLPXCFYNFNS-PTNGSMBKSA-M
XLogP1.90
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
CID 71097759
3-anilino-2-(4-methoxyphenyl)prop-2-enoic acid
CID 70039469
2-phenylbut-2-enoate
CID 4099750
3-(2,5-dimethoxyanilino)-2-phenylprop-2-enoic acid
CID 70039083
(E)-N-benzyl-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 7459691
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(E)-3-anilino-1,2-diphenylprop-2-en-1-one
CID 6292138
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
(Z)-N-(2-chloroethyl)-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 108854494
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate?
The IUPAC name of (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate (CID 18771371) is (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate.
What is the SMILES notation for (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate?
The canonical SMILES for (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate is COc1cccc(N/C=C(\C(=O)[O-])c2ccccc2)c1.
What is the InChIKey of (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate?
The InChIKey is WATKLPXCFYNFNS-PTNGSMBKSA-M. The full InChI is InChI=1S/C16H15NO3/c1-20-14-9-5-8-13(10-14)17-11-15(16(18)19)12-6-3-2-4-7-12/h2-11,17H,1H3,(H,18,19)/p-1/b15-11-.
What are the key properties of (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate?
(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate has a molecular weight of 268.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate is sourced from PubChem (CID 18771371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).