N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide

C28H33N3O2 — CID 90163549

IUPACN-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
SMILESCNC(=O)CCCCCCN(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H33N3O2/c1-29-27(32)17-11-3-4-12-22-30(2)28(33)23-18-20-26(21-19-23)31(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21H,3-4,11-12,17,22H2,1-2H3,(H,29,32)
InChIKeyDEYONHHUCAPVOI-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.92
Rot. Bonds11

About N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide

N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide (PubChem CID 90163549) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide.

Molecular Properties

Compound NameN-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
PubChem CID90163549
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
SMILESCNC(=O)CCCCCCN(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H33N3O2/c1-29-27(32)17-11-3-4-12-22-30(2)28(33)23-18-20-26(21-19-23)31(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21H,3-4,11-12,17,22H2,1-2H3,(H,29,32)
InChIKeyDEYONHHUCAPVOI-UHFFFAOYSA-N
XLogP5.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[di(pyrimidin-2-yl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
CID 53339180
4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide
CID 90163616
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
N-methyl-9-phenylnonanamide
CID 118028570
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
CID 91902584
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 146107620
6-(dimethylamino)-N-methylhexanamide
CID 58019688
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide?
The IUPAC name of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide (CID 90163549) is N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide.
What is the SMILES notation for N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide?
The canonical SMILES for N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide is CNC(=O)CCCCCCN(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide?
The InChIKey is DEYONHHUCAPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-29-27(32)17-11-3-4-12-22-30(2)28(33)23-18-20-26(21-19-23)31(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21H,3-4,11-12,17,22H2,1-2H3,(H,29,32).
What are the key properties of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide?
N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide has a molecular weight of 443.59 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide is sourced from PubChem (CID 90163549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).