4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide

C16H25N3O2 — CID 10039928

IUPAC4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
SMILESCNC(=O)CCCCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-17-15(20)7-5-4-6-12-18-16(21)13-8-10-14(11-9-13)19(2)3/h8-11H,4-7,12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyAVQFBDNLBHQRTO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.79
Rot. Bonds8

About 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide

4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide (PubChem CID 10039928) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
PubChem CID10039928
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
SMILESCNC(=O)CCCCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-17-15(20)7-5-4-6-12-18-16(21)13-8-10-14(11-9-13)19(2)3/h8-11H,4-7,12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyAVQFBDNLBHQRTO-UHFFFAOYSA-N
XLogP1.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide
CID 90163616
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide (CID 10039928) is 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide is CNC(=O)CCCCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide?
The InChIKey is AVQFBDNLBHQRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-15(20)7-5-4-6-12-18-16(21)13-8-10-14(11-9-13)19(2)3/h8-11H,4-7,12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide?
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide is sourced from PubChem (CID 10039928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).