N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide

C16H23NO — CID 76600085

IUPACN-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide
SMILESCC(=O)N(CC=C(C)c1ccccc1)CC(C)C
InChIInChI=1S/C16H23NO/c1-13(2)12-17(15(4)18)11-10-14(3)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3
InChIKeyJKOXDHYQEKVMCX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.59
Rot. Bonds5

About N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide

N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide (PubChem CID 76600085) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide
PubChem CID76600085
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide
SMILESCC(=O)N(CC=C(C)c1ccccc1)CC(C)C
InChIInChI=1S/C16H23NO/c1-13(2)12-17(15(4)18)11-10-14(3)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3
InChIKeyJKOXDHYQEKVMCX-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-diphenylnona-2,7-dien-5-one
CID 139864359
N,N-bis(2-methylpropyl)-2-phenylprop-2-enamide
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N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113158861
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
CID 84571475
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide (CID 76600085) is N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide is CC(=O)N(CC=C(C)c1ccccc1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide?
The InChIKey is JKOXDHYQEKVMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)12-17(15(4)18)11-10-14(3)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide?
N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide has a molecular weight of 245.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide is sourced from PubChem (CID 76600085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).