4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide

C17H25N3O2 — CID 91522441

IUPAC4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide
SMILESC=NC(=O)C(CCCCNC(=O)c1ccc(CC)cc1)NC
InChIInChI=1S/C17H25N3O2/c1-4-13-8-10-14(11-9-13)16(21)20-12-6-5-7-15(18-2)17(22)19-3/h8-11,15,18H,3-7,12H2,1-2H3,(H,20,21)
InChIKeyIBQQFVCFYYJDAH-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds9

About 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide

4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide (PubChem CID 91522441) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide
PubChem CID91522441
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide
SMILESC=NC(=O)C(CCCCNC(=O)c1ccc(CC)cc1)NC
InChIInChI=1S/C17H25N3O2/c1-4-13-8-10-14(11-9-13)16(21)20-12-6-5-7-15(18-2)17(22)19-3/h8-11,15,18H,3-7,12H2,1-2H3,(H,20,21)
InChIKeyIBQQFVCFYYJDAH-UHFFFAOYSA-N
XLogP1.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
[4-[[6-amino-5-(methylamino)-6-oxohexyl]carbamoyl]phenyl]azanium
CID 147379638
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;1-methoxypropane;propane
CID 90749527
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane
CID 91472308

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide?
The IUPAC name of 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide (CID 91522441) is 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide?
The canonical SMILES for 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide is C=NC(=O)C(CCCCNC(=O)c1ccc(CC)cc1)NC.
What is the InChIKey of 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide?
The InChIKey is IBQQFVCFYYJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-13-8-10-14(11-9-13)16(21)20-12-6-5-7-15(18-2)17(22)19-3/h8-11,15,18H,3-7,12H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide?
4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide has a molecular weight of 303.41 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-(methylamino)-6-(methylideneamino)-6-oxohexyl]benzamide is sourced from PubChem (CID 91522441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).