N,N-diethyl-4-phenylbut-3-enamide

C14H19NO — CID 71333088

IUPACN,N-diethyl-4-phenylbut-3-enamide
SMILESCCN(CC)C(=O)CC=Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-15(4-2)14(16)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3
InChIKeyVVTKGYQJNGSWAY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds5

About N,N-diethyl-4-phenylbut-3-enamide

N,N-diethyl-4-phenylbut-3-enamide (PubChem CID 71333088) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N,N-diethyl-4-phenylbut-3-enamide.

Molecular Properties

Compound NameN,N-diethyl-4-phenylbut-3-enamide
PubChem CID71333088
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN,N-diethyl-4-phenylbut-3-enamide
SMILESCCN(CC)C(=O)CC=Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-15(4-2)14(16)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3
InChIKeyVVTKGYQJNGSWAY-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
zinc bis(4-phenylbut-3-enoate)
CID 66673127
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
CID 101441140
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
2-[2-[(2-bromophenyl)methoxy]-5-[(E)-4-(diethylamino)-4-oxobut-1-enyl]phenoxy]acetic acid
CID 67580743
(2R)-2-amino-N-ethyl-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50984163
benzene;but-1-enylbenzene
CID 157481332
4-phenylbut-3-enehydrazide
CID 173237990

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenylbut-3-enamide?
The IUPAC name of N,N-diethyl-4-phenylbut-3-enamide (CID 71333088) is N,N-diethyl-4-phenylbut-3-enamide.
What is the SMILES notation for N,N-diethyl-4-phenylbut-3-enamide?
The canonical SMILES for N,N-diethyl-4-phenylbut-3-enamide is CCN(CC)C(=O)CC=Cc1ccccc1.
What is the InChIKey of N,N-diethyl-4-phenylbut-3-enamide?
The InChIKey is VVTKGYQJNGSWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15(4-2)14(16)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N,N-diethyl-4-phenylbut-3-enamide?
N,N-diethyl-4-phenylbut-3-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenylbut-3-enamide is sourced from PubChem (CID 71333088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).