N-[(E)-but-2-enoyl]-N-tert-butylbenzamide

C15H19NO2 — CID 177468892

IUPACN-[(E)-but-2-enoyl]-N-tert-butylbenzamide
SMILESC/C=C/C(=O)N(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H19NO2/c1-5-9-13(17)16(15(2,3)4)14(18)12-10-7-6-8-11-12/h5-11H,1-4H3/b9-5+
InChIKeyJFQZEWLUGNGYCE-WEVVVXLNSA-N
MW245.32 g/mol
LogP3.03
Rot. Bonds2

About N-[(E)-but-2-enoyl]-N-tert-butylbenzamide

N-[(E)-but-2-enoyl]-N-tert-butylbenzamide (PubChem CID 177468892) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(E)-but-2-enoyl]-N-tert-butylbenzamide.

Molecular Properties

Compound NameN-[(E)-but-2-enoyl]-N-tert-butylbenzamide
PubChem CID177468892
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(E)-but-2-enoyl]-N-tert-butylbenzamide
SMILESC/C=C/C(=O)N(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H19NO2/c1-5-9-13(17)16(15(2,3)4)14(18)12-10-7-6-8-11-12/h5-11H,1-4H3/b9-5+
InChIKeyJFQZEWLUGNGYCE-WEVVVXLNSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.03
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

N'-but-2-enoyl-N-tert-butylbenzohydrazide
CID 67921810
N,N-dibenzylbut-2-enamide
CID 71340814
N-bromo-N-tert-butylbenzamide
CID 141466989
acetic acid;N-tert-butyl-N-hydroxybenzamide
CID 162308139
N-(2-methylpent-4-en-2-yl)benzohydrazide
CID 19367786
acetaldehyde;benzoic acid
CID 142179743
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N-tert-butyl-N-(4-tert-butylphenyl)benzamide
CID 517588
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989
N-acetyl-N-(2,2-dimethylpropyl)benzamide
CID 142599008
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
CID 143297607

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enoyl]-N-tert-butylbenzamide?
The IUPAC name of N-[(E)-but-2-enoyl]-N-tert-butylbenzamide (CID 177468892) is N-[(E)-but-2-enoyl]-N-tert-butylbenzamide.
What is the SMILES notation for N-[(E)-but-2-enoyl]-N-tert-butylbenzamide?
The canonical SMILES for N-[(E)-but-2-enoyl]-N-tert-butylbenzamide is C/C=C/C(=O)N(C(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(E)-but-2-enoyl]-N-tert-butylbenzamide?
The InChIKey is JFQZEWLUGNGYCE-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-9-13(17)16(15(2,3)4)14(18)12-10-7-6-8-11-12/h5-11H,1-4H3/b9-5+.
What are the key properties of N-[(E)-but-2-enoyl]-N-tert-butylbenzamide?
N-[(E)-but-2-enoyl]-N-tert-butylbenzamide has a molecular weight of 245.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enoyl]-N-tert-butylbenzamide is sourced from PubChem (CID 177468892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).