(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one

C16H16N2O2 — CID 71097759

IUPAC(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)/C(N)=C/Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c1-20-14-9-5-6-12(10-14)16(19)15(17)11-18-13-7-3-2-4-8-13/h2-11,18H,17H2,1H3/b15-11-
InChIKeyYHOHODCQEDBCQW-PTNGSMBKSA-N
MW268.32 g/mol
LogP2.79
Rot. Bonds5

About (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one

(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 71097759) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID71097759
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)/C(N)=C/Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c1-20-14-9-5-6-12(10-14)16(19)15(17)11-18-13-7-3-2-4-8-13/h2-11,18H,17H2,1H3/b15-11-
InChIKeyYHOHODCQEDBCQW-PTNGSMBKSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate
CID 18771371
3-hydroxy-1,3-bis(3-methoxyphenyl)-2-methylprop-2-en-1-one
CID 27818254
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
3-anilino-2-(4-methoxyphenyl)prop-2-enoic acid
CID 70039469
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
2-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxoacetamide
CID 82123593
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
2-cyano-3-(3-methoxyanilino)prop-2-enethioamide
CID 4262170

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one (CID 71097759) is (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(C(=O)/C(N)=C/Nc2ccccc2)c1.
What is the InChIKey of (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is YHOHODCQEDBCQW-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-14-9-5-6-12(10-14)16(19)15(17)11-18-13-7-3-2-4-8-13/h2-11,18H,17H2,1H3/b15-11-.
What are the key properties of (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one?
(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 268.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 71097759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).