N-(3-anilinophenyl)-2-methylprop-2-enamide

C16H16N2O — CID 67511613

IUPACN-(3-anilinophenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O/c1-12(2)16(19)18-15-10-6-9-14(11-15)17-13-7-4-3-5-8-13/h3-11,17H,1H2,2H3,(H,18,19)
InChIKeyISYWVSOFZKHKTB-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.94
Rot. Bonds4

About N-(3-anilinophenyl)-2-methylprop-2-enamide

N-(3-anilinophenyl)-2-methylprop-2-enamide (PubChem CID 67511613) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(3-anilinophenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-2-methylprop-2-enamide
PubChem CID67511613
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(3-anilinophenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O/c1-12(2)16(19)18-15-10-6-9-14(11-15)17-13-7-4-3-5-8-13/h3-11,17H,1H2,2H3,(H,18,19)
InChIKeyISYWVSOFZKHKTB-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methylprop-2-enamide
CID 108746164
2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide
CID 102248474
[3-(2-methylprop-2-enoylamino)phenyl]azanium
CID 140585857
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
N-(3-anilinophenyl)-2-sulfanylacetamide
CID 164884048
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide
CID 139798342
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-anilinophenyl)-2-methylprop-2-enamide (CID 67511613) is N-(3-anilinophenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-anilinophenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-anilinophenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cccc(Nc2ccccc2)c1.
What is the InChIKey of N-(3-anilinophenyl)-2-methylprop-2-enamide?
The InChIKey is ISYWVSOFZKHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(2)16(19)18-15-10-6-9-14(11-15)17-13-7-4-3-5-8-13/h3-11,17H,1H2,2H3,(H,18,19).
What are the key properties of N-(3-anilinophenyl)-2-methylprop-2-enamide?
N-(3-anilinophenyl)-2-methylprop-2-enamide has a molecular weight of 252.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 67511613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).