(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide

C17H25NO — CID 732127

IUPAC(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H25NO/c1-14(2)12-18(13-15(3)4)17(19)11-10-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3/b11-10+
InChIKeyKDAFGAHTMUPFDX-ZHACJKMWSA-N
MW259.39 g/mol
LogP3.84
Rot. Bonds6

About (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide

(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide (PubChem CID 732127) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
PubChem CID732127
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H25NO/c1-14(2)12-18(13-15(3)4)17(19)11-10-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3/b11-10+
InChIKeyKDAFGAHTMUPFDX-ZHACJKMWSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.84
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)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6140170
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
2-methyl-3-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]propanoic acid
CID 82325981
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
CID 115342801
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
(E)-3-(3-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide
CID 115343398
[4-[[2-methylpropyl(3-phenylprop-2-enoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5180530
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide (CID 732127) is (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide is CC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide?
The InChIKey is KDAFGAHTMUPFDX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)12-18(13-15(3)4)17(19)11-10-16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3/b11-10+.
What are the key properties of (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide?
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 732127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).