4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide

C15H21NO — CID 59811427

IUPAC4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO/c1-11(2)5-6-13-7-9-14(10-8-13)15(17)16-12(3)4/h5-12H,1-4H3,(H,16,17)/b6-5+
InChIKeyULTRBELLXSSFME-AATRIKPKSA-N
MW231.34 g/mol
LogP3.49
Rot. Bonds4

About 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide

4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide (PubChem CID 59811427) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
PubChem CID59811427
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO/c1-11(2)5-6-13-7-9-14(10-8-13)15(17)16-12(3)4/h5-12H,1-4H3,(H,16,17)/b6-5+
InChIKeyULTRBELLXSSFME-AATRIKPKSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811412
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
methyl 4-[(E,3S)-3-hydroxybut-1-enyl]benzoate
CID 177480550
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]benzamide
CID 89219792
3-[4-(3-methylpentan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 76907240
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide (CID 59811427) is 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide is CC(C)/C=C/c1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide?
The InChIKey is ULTRBELLXSSFME-AATRIKPKSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)5-6-13-7-9-14(10-8-13)15(17)16-12(3)4/h5-12H,1-4H3,(H,16,17)/b6-5+.
What are the key properties of 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide?
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide has a molecular weight of 231.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 59811427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).