2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide

C18H27NO — CID 154706946

IUPAC2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)/C=C/c1ccccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H27NO/c1-13(2)11-12-16-9-7-8-10-17(16)18(20)19(14(3)4)15(5)6/h7-15H,1-6H3/b12-11+
InChIKeyBELJGBKVGGXEPE-VAWYXSNFSA-N
MW273.42 g/mol
LogP4.61
Rot. Bonds5

About 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide

2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 154706946) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
PubChem CID154706946
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)/C=C/c1ccccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H27NO/c1-13(2)11-12-16-9-7-8-10-17(16)18(20)19(14(3)4)15(5)6/h7-15H,1-6H3/b12-11+
InChIKeyBELJGBKVGGXEPE-VAWYXSNFSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide
CID 154706947
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
CID 10379661
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide
CID 10040543
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714
2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
2-[carboxy(propan-2-yl)amino]benzoic acid
CID 69006407
silver;2-diphenylphosphanyl-N,N-di(propan-2-yl)benzamide;acetate
CID 56949989
4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide
CID 132565438
2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide
CID 156790495

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide (CID 154706946) is 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide is CC(C)/C=C/c1ccccc1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is BELJGBKVGGXEPE-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)11-12-16-9-7-8-10-17(16)18(20)19(14(3)4)15(5)6/h7-15H,1-6H3/b12-11+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide?
2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 273.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 154706946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).