4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide

C15H21NO — CID 144998483

IUPAC4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide
SMILESC/C=C(/C)c1ccc(C(=O)N(C)CC)cc1C
InChIInChI=1S/C15H21NO/c1-6-11(3)14-9-8-13(10-12(14)4)15(17)16(5)7-2/h6,8-10H,7H2,1-5H3/b11-6-
InChIKeyGPQPBRWMWUEAHV-WDZFZDKYSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds3

About 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide

4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide (PubChem CID 144998483) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide
PubChem CID144998483
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide
SMILESC/C=C(/C)c1ccc(C(=O)N(C)CC)cc1C
InChIInChI=1S/C15H21NO/c1-6-11(3)14-9-8-13(10-12(14)4)15(17)16(5)7-2/h6,8-10H,7H2,1-5H3/b11-6-
InChIKeyGPQPBRWMWUEAHV-WDZFZDKYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
N,3-diethyl-N-methylbenzamide
CID 89250993
N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide
CID 177353705
N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide
CID 142914162
(Z)-4-[4-(diethylamino)-2-methylphenyl]pent-3-en-2-one
CID 167297529
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen
CID 156841303
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide (CID 144998483) is 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide is C/C=C(/C)c1ccc(C(=O)N(C)CC)cc1C.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide?
The InChIKey is GPQPBRWMWUEAHV-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-11(3)14-9-8-13(10-12(14)4)15(17)16(5)7-2/h6,8-10H,7H2,1-5H3/b11-6-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide?
4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide has a molecular weight of 231.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide is sourced from PubChem (CID 144998483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).