(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide

C15H20N2O2 — CID 7972275

IUPAC(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
SMILESCCCNC(=O)CN(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-11-16-14(18)12-17(2)15(19)10-9-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,16,18)/b10-9+
InChIKeyAHVNIWPNUHCQOV-MDZDMXLPSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds6

About (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide

(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide (PubChem CID 7972275) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
PubChem CID7972275
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
SMILESCCCNC(=O)CN(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-11-16-14(18)12-17(2)15(19)10-9-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,16,18)/b10-9+
InChIKeyAHVNIWPNUHCQOV-MDZDMXLPSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
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-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylprop-2-enamide
CID 8500811
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8621596
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 47255947
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
(E)-N-(2-anilino-2-oxoethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 46425147
(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 51307815
(E)-3-(3-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 51307851
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
CID 18737343
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide (CID 7972275) is (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide is CCCNC(=O)CN(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide?
The InChIKey is AHVNIWPNUHCQOV-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-11-16-14(18)12-17(2)15(19)10-9-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,16,18)/b10-9+.
What are the key properties of (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide?
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 7972275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).