N-[4-(N-methylanilino)-4-oxobutyl]benzamide

C18H20N2O2 — CID 15040615

IUPACN-[4-(N-methylanilino)-4-oxobutyl]benzamide
SMILESCN(C(=O)CCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-20(16-11-6-3-7-12-16)17(21)13-8-14-19-18(22)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,19,22)
InChIKeyICVURWIXLKSFMH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(N-methylanilino)-4-oxobutyl]benzamide

N-[4-(N-methylanilino)-4-oxobutyl]benzamide (PubChem CID 15040615) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-(N-methylanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(N-methylanilino)-4-oxobutyl]benzamide
PubChem CID15040615
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-(N-methylanilino)-4-oxobutyl]benzamide
SMILESCN(C(=O)CCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-20(16-11-6-3-7-12-16)17(21)13-8-14-19-18(22)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,19,22)
InChIKeyICVURWIXLKSFMH-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-(4-oxopentyl)benzamide
CID 10798281
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
methyl 4-benzamidobutanoate
CID 13197711
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-methylanilino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(N-methylanilino)-4-oxobutyl]benzamide (CID 15040615) is N-[4-(N-methylanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(N-methylanilino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(N-methylanilino)-4-oxobutyl]benzamide is CN(C(=O)CCCNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(N-methylanilino)-4-oxobutyl]benzamide?
The InChIKey is ICVURWIXLKSFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(16-11-6-3-7-12-16)17(21)13-8-14-19-18(22)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,19,22).
What are the key properties of N-[4-(N-methylanilino)-4-oxobutyl]benzamide?
N-[4-(N-methylanilino)-4-oxobutyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-methylanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 15040615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).