(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide

C16H16N2O2 — CID 28867841

IUPAC(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C16H16N2O2/c1-20-13-6-4-5-12(11-13)9-10-16(19)18-15-8-3-2-7-14(15)17/h2-11H,17H2,1H3,(H,18,19)/b10-9+
InChIKeyLNMURDHQUMTOSR-MDZDMXLPSA-N
MW268.32 g/mol
LogP2.93
Rot. Bonds4

About (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 28867841) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID28867841
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C16H16N2O2/c1-20-13-6-4-5-12(11-13)9-10-16(19)18-15-8-3-2-7-14(15)17/h2-11H,17H2,1H3,(H,18,19)/b10-9+
InChIKeyLNMURDHQUMTOSR-MDZDMXLPSA-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

(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867858
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67344097
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 89001839
(E)-N-(2-aminophenyl)-3-[3-[(3-propan-2-yloxyanilino)methyl]phenyl]prop-2-enamide
CID 139377799
N-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-4-methylbenzamide
CID 45255726

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 28867841) is (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccccc2N)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is LNMURDHQUMTOSR-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-13-6-4-5-12(11-13)9-10-16(19)18-15-8-3-2-7-14(15)17/h2-11H,17H2,1H3,(H,18,19)/b10-9+.
What are the key properties of (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-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 (E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28867841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).