N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide

C16H16N2O2 — CID 74572950

IUPACN-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccccc2)cc1N
InChIInChI=1S/C16H16N2O2/c1-20-15-9-8-13(11-14(15)17)18-16(19)10-7-12-5-3-2-4-6-12/h2-11H,17H2,1H3,(H,18,19)
InChIKeyFXWXIAYZUXPBAH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.93
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide

N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 74572950) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
PubChem CID74572950
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccccc2)cc1N
InChIInChI=1S/C16H16N2O2/c1-20-15-9-8-13(11-14(15)17)18-16(19)10-7-12-5-3-2-4-6-12/h2-11H,17H2,1H3,(H,18,19)
InChIKeyFXWXIAYZUXPBAH-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 68957635
(E)-3-(3-amino-4-methoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359458
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
CID 107621799
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide (CID 74572950) is N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide is COc1ccc(NC(=O)C=Cc2ccccc2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is FXWXIAYZUXPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-9-8-13(11-14(15)17)18-16(19)10-7-12-5-3-2-4-6-12/h2-11H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide?
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 74572950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).