(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide

C16H23NO — CID 11322547

IUPAC(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide
SMILESC/C=C(\CCc1ccccc1)C(=O)N(CC)CC
InChIInChI=1S/C16H23NO/c1-4-15(16(18)17(5-2)6-3)13-12-14-10-8-7-9-11-14/h4,7-11H,5-6,12-13H2,1-3H3/b15-4+
InChIKeyXUOWJKJHIRGBOW-SYZQJQIISA-N
MW245.37 g/mol
LogP3.43
Rot. Bonds6

About (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide

(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide (PubChem CID 11322547) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide
PubChem CID11322547
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide
SMILESC/C=C(\CCc1ccccc1)C(=O)N(CC)CC
InChIInChI=1S/C16H23NO/c1-4-15(16(18)17(5-2)6-3)13-12-14-10-8-7-9-11-14/h4,7-11H,5-6,12-13H2,1-3H3/b15-4+
InChIKeyXUOWJKJHIRGBOW-SYZQJQIISA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.43
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

methyl 2-(2-phenylethyl)but-2-enoate
CID 162347431
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
butylbenzene;carbonic acid
CID 158278492
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
carbonic acid;pentylbenzene
CID 157127683
5-phenylpentan-2-one
CID 16701
4-phenylbutan-2-one;prop-1-ene
CID 166128425

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide (CID 11322547) is (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide is C/C=C(\CCc1ccccc1)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide?
The InChIKey is XUOWJKJHIRGBOW-SYZQJQIISA-N. The full InChI is InChI=1S/C16H23NO/c1-4-15(16(18)17(5-2)6-3)13-12-14-10-8-7-9-11-14/h4,7-11H,5-6,12-13H2,1-3H3/b15-4+.
What are the key properties of (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide?
(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide is sourced from PubChem (CID 11322547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).