(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide

C20H24N2O — CID 7892131

IUPAC(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
SMILESCCN(c1ccc(NC(=O)/C=C/c2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H24N2O/c1-4-22(16(2)3)19-13-11-18(12-14-19)21-20(23)15-10-17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,21,23)/b15-10+
InChIKeyZNZXTDWZHOGZGC-XNTDXEJSSA-N
MW308.43 g/mol
LogP4.57
Rot. Bonds6

About (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide (PubChem CID 7892131) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
PubChem CID7892131
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
SMILESCCN(c1ccc(NC(=O)/C=C/c2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H24N2O/c1-4-22(16(2)3)19-13-11-18(12-14-19)21-20(23)15-10-17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,21,23)/b15-10+
InChIKeyZNZXTDWZHOGZGC-XNTDXEJSSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
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-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 134030275
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551622
(E)-3-(2,3-dimethoxyphenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551635
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide (CID 7892131) is (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide is CCN(c1ccc(NC(=O)/C=C/c2ccccc2)cc1)C(C)C.
What is the InChIKey of (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide?
The InChIKey is ZNZXTDWZHOGZGC-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-22(16(2)3)19-13-11-18(12-14-19)21-20(23)15-10-17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,21,23)/b15-10+.
What are the key properties of (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide has a molecular weight of 308.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 7892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).