N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide

C15H21NO — CID 177353705

IUPACN,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide
SMILESC/C=C(\CC)c1ccc(C(=O)N(C)C)c(C)c1
InChIInChI=1S/C15H21NO/c1-6-12(7-2)13-8-9-14(11(3)10-13)15(17)16(4)5/h6,8-10H,7H2,1-5H3/b12-6+
InChIKeyQWBHVSABCUDBIM-WUXMJOGZSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds3

About N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide

N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide (PubChem CID 177353705) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide
PubChem CID177353705
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide
SMILESC/C=C(\CC)c1ccc(C(=O)N(C)C)c(C)c1
InChIInChI=1S/C15H21NO/c1-6-12(7-2)13-8-9-14(11(3)10-13)15(17)16(4)5/h6,8-10H,7H2,1-5H3/b12-6+
InChIKeyQWBHVSABCUDBIM-WUXMJOGZSA-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

4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-[(Z)-but-2-en-2-yl]-N-ethyl-N,3-dimethylbenzamide
CID 144998483
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide
CID 70933125
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide?
The IUPAC name of N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide (CID 177353705) is N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide.
What is the SMILES notation for N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide?
The canonical SMILES for N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide is C/C=C(\CC)c1ccc(C(=O)N(C)C)c(C)c1.
What is the InChIKey of N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide?
The InChIKey is QWBHVSABCUDBIM-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-12(7-2)13-8-9-14(11(3)10-13)15(17)16(4)5/h6,8-10H,7H2,1-5H3/b12-6+.
What are the key properties of N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide?
N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide 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 N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide is sourced from PubChem (CID 177353705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).