N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide

C18H27NO — CID 71046019

IUPACN-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
SMILESCCC(C)NC(=O)c1ccc(/C(C)=C/C(C)(C)C)cc1
InChIInChI=1S/C18H27NO/c1-7-14(3)19-17(20)16-10-8-15(9-11-16)13(2)12-18(4,5)6/h8-12,14H,7H2,1-6H3,(H,19,20)/b13-12+
InChIKeyCQDQXGOFZBCCIV-OUKQBFOZSA-N
MW273.42 g/mol
LogP4.66
Rot. Bonds4

About N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide

N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide (PubChem CID 71046019) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
PubChem CID71046019
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
SMILESCCC(C)NC(=O)c1ccc(/C(C)=C/C(C)(C)C)cc1
InChIInChI=1S/C18H27NO/c1-7-14(3)19-17(20)16-10-8-15(9-11-16)13(2)12-18(4,5)6/h8-12,14H,7H2,1-6H3,(H,19,20)/b13-12+
InChIKeyCQDQXGOFZBCCIV-OUKQBFOZSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butan-2-yl-4-(propylamino)benzamide
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N-butan-2-yl-4-(sulfanylmethyl)benzamide
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4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
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N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-butan-2-yl-4-(sulfanylmethyl)benzamide;formamide
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N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
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CID 60645984

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The IUPAC name of N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide (CID 71046019) is N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide is CCC(C)NC(=O)c1ccc(/C(C)=C/C(C)(C)C)cc1.
What is the InChIKey of N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The InChIKey is CQDQXGOFZBCCIV-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H27NO/c1-7-14(3)19-17(20)16-10-8-15(9-11-16)13(2)12-18(4,5)6/h8-12,14H,7H2,1-6H3,(H,19,20)/b13-12+.
What are the key properties of N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide has a molecular weight of 273.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide is sourced from PubChem (CID 71046019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).