(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide

C14H20N2O — CID 98926306

IUPAC(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
SMILESCN(C)CCCNC(=O)/C=C\c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(2)12-6-11-15-14(17)10-9-13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3,(H,15,17)/b10-9-
InChIKeyAPHLGEOHDRWCGB-KTKRTIGZSA-N
MW232.33 g/mol
LogP1.77
Rot. Bonds6

About (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide

(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide (PubChem CID 98926306) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
PubChem CID98926306
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
SMILESCN(C)CCCNC(=O)/C=C\c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(2)12-6-11-15-14(17)10-9-13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3,(H,15,17)/b10-9-
InChIKeyAPHLGEOHDRWCGB-KTKRTIGZSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
methyl 4-[3-[3-(dimethylamino)propylamino]-3-oxoprop-1-enyl]benzoate
CID 76859713
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-N-[4-(dimethylamino)butyl]-3-(3-fluorophenyl)prop-2-enamide
CID 84563566
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide;hydrochloride
CID 158649550
(E)-N-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 78874399

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide (CID 98926306) is (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide is CN(C)CCCNC(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
The InChIKey is APHLGEOHDRWCGB-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)12-6-11-15-14(17)10-9-13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3,(H,15,17)/b10-9-.
What are the key properties of (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 98926306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).