2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide

C19H27NO2 — CID 10040543

IUPAC2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide
SMILESCC/C=C(\C)C(=O)c1ccccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H27NO2/c1-7-10-15(6)18(21)16-11-8-9-12-17(16)19(22)20(13(2)3)14(4)5/h8-14H,7H2,1-6H3/b15-10+
InChIKeyDYRQELHWOZYURI-XNTDXEJSSA-N
MW301.43 g/mol
LogP4.48
Rot. Bonds6

About 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide

2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 10040543) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide
PubChem CID10040543
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide
SMILESCC/C=C(\C)C(=O)c1ccccc1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H27NO2/c1-7-10-15(6)18(21)16-11-8-9-12-17(16)19(22)20(13(2)3)14(4)5/h8-14H,7H2,1-6H3/b15-10+
InChIKeyDYRQELHWOZYURI-XNTDXEJSSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
CID 154706946
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
CID 10379661
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
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
silver;2-diphenylphosphanyl-N,N-di(propan-2-yl)benzamide;acetate
CID 56949989
2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
[2-(2-carboxyphenyl)-1-[di(propan-2-yl)amino]-2-oxoethylidene]-di(propan-2-yl)azanium
CID 16655734
2-[(E)-pent-2-en-2-yl]benzoic acid
CID 168936583
(Z)-2-methyl-1-(4-sulfanylphenyl)pent-2-en-1-one
CID 176680102

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide (CID 10040543) is 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide is CC/C=C(\C)C(=O)c1ccccc1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is DYRQELHWOZYURI-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H27NO2/c1-7-10-15(6)18(21)16-11-8-9-12-17(16)19(22)20(13(2)3)14(4)5/h8-14H,7H2,1-6H3/b15-10+.
What are the key properties of 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide?
2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 301.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 10040543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).