(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide

C17H18N2O — CID 43601058

IUPAC(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
SMILESCNCc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H18N2O/c1-18-13-15-9-5-6-10-16(15)19-17(20)12-11-14-7-3-2-4-8-14/h2-12,18H,13H2,1H3,(H,19,20)/b12-11+
InChIKeyDSIGOIGWOVLLRR-VAWYXSNFSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds5

About (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 43601058) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID43601058
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
SMILESCNCc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H18N2O/c1-18-13-15-9-5-6-10-16(15)19-17(20)12-11-14-7-3-2-4-8-14/h2-12,18H,13H2,1H3,(H,19,20)/b12-11+
InChIKeyDSIGOIGWOVLLRR-VAWYXSNFSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
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

(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
(E)-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-phenylprop-2-enamide
CID 126006435
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide
CID 108923793
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55642515

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide (CID 43601058) is (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide is CNCc1ccccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is DSIGOIGWOVLLRR-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-13-15-9-5-6-10-16(15)19-17(20)12-11-14-7-3-2-4-8-14/h2-12,18H,13H2,1H3,(H,19,20)/b12-11+.
What are the key properties of (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 266.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 43601058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).