(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide

C17H24ClNO — CID 6272400

IUPAC(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCC(C)N(C(=O)/C=C/c1ccc(Cl)cc1)C(C)CC
InChIInChI=1S/C17H24ClNO/c1-5-13(3)19(14(4)6-2)17(20)12-9-15-7-10-16(18)11-8-15/h7-14H,5-6H2,1-4H3/b12-9+
InChIKeyWVMHXXYNJMRYCE-FMIVXFBMSA-N
MW293.84 g/mol
LogP4.78
Rot. Bonds6

About (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 6272400) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID6272400
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCC(C)N(C(=O)/C=C/c1ccc(Cl)cc1)C(C)CC
InChIInChI=1S/C17H24ClNO/c1-5-13(3)19(14(4)6-2)17(20)12-9-15-7-10-16(18)11-8-15/h7-14H,5-6H2,1-4H3/b12-9+
InChIKeyWVMHXXYNJMRYCE-FMIVXFBMSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,5S)-1,5-bis(4-chlorophenyl)hept-1-en-3-one
CID 23629422
butan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 130331827
(E)-3-(4-chlorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 113248547
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
CID 92529470
(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
CID 83969210
(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-one
CID 176797692
(E)-N,N-bis[(2S)-butan-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 5415778
ethyl 3-[3-(4-chlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923124
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-ethylamino]acetate
CID 54979370
3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700874
propan-2-yl 3-(4-chlorophenyl)prop-2-enoate
CID 2755677

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 6272400) is (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide is CCC(C)N(C(=O)/C=C/c1ccc(Cl)cc1)C(C)CC.
What is the InChIKey of (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is WVMHXXYNJMRYCE-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-5-13(3)19(14(4)6-2)17(20)12-9-15-7-10-16(18)11-8-15/h7-14H,5-6H2,1-4H3/b12-9+.
What are the key properties of (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 293.84 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 6272400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).