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

C17H25NO — CID 102170630

IUPACN,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
SMILESC=C(C(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-13(2)11-18(12-14(3)4)17(19)15(5)16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyBZLKJHGNJIZWRC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.84
Rot. Bonds6

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

N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide (PubChem CID 102170630) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
PubChem CID102170630
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
SMILESC=C(C(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-13(2)11-18(12-14(3)4)17(19)15(5)16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyBZLKJHGNJIZWRC-UHFFFAOYSA-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

N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide
CID 76600085
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 44630282
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
ethane;2-phenylprop-2-enoic acid
CID 142472843
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide (CID 102170630) is N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide is C=C(C(=O)N(CC(C)C)CC(C)C)c1ccccc1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide?
The InChIKey is BZLKJHGNJIZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)11-18(12-14(3)4)17(19)15(5)16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide?
N,N-bis(2-methylpropyl)-2-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 N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 102170630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).