N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide

C18H17NO2 — CID 130352471

IUPACN-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C)ccc1C(=O)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-12(2)18(21)19-16-11-13(3)9-10-15(16)17(20)14-7-5-4-6-8-14/h4-11H,1H2,2-3H3,(H,19,21)
InChIKeySRABYDMBMYXDOP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.74
Rot. Bonds4

About N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide

N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide (PubChem CID 130352471) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide
PubChem CID130352471
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C)ccc1C(=O)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-12(2)18(21)19-16-11-13(3)9-10-15(16)17(20)14-7-5-4-6-8-14/h4-11H,1H2,2-3H3,(H,19,21)
InChIKeySRABYDMBMYXDOP-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide
CID 139798342
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
2-benzoyl-5-methylbenzamide
CID 69123799
N-(2-benzoyl-5-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807758
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
S-phenyl 2-benzoyl-4-methylbenzenecarbothioate
CID 10544566

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide (CID 130352471) is N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cc(C)ccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide?
The InChIKey is SRABYDMBMYXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12(2)18(21)19-16-11-13(3)9-10-15(16)17(20)14-7-5-4-6-8-14/h4-11H,1H2,2-3H3,(H,19,21).
What are the key properties of N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide?
N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 130352471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).