N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide

C22H38N4O2 — CID 155395195

IUPACN-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide
SMILESCCCN(CCCCCNCCNCC=O)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H38N4O2/c1-4-15-26(16-7-5-6-11-23-12-13-24-14-17-27)18-21(28)25-22-19(2)9-8-10-20(22)3/h8-10,17,23-24H,4-7,11-16,18H2,1-3H3,(H,25,28)
InChIKeyJQQGBEOQKGJVQX-UHFFFAOYSA-N
MW390.57 g/mol
LogP2.50
Rot. Bonds16

About N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide

N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide (PubChem CID 155395195) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide
PubChem CID155395195
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide
SMILESCCCN(CCCCCNCCNCC=O)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H38N4O2/c1-4-15-26(16-7-5-6-11-23-12-13-24-14-17-27)18-21(28)25-22-19(2)9-8-10-20(22)3/h8-10,17,23-24H,4-7,11-16,18H2,1-3H3,(H,25,28)
InChIKeyJQQGBEOQKGJVQX-UHFFFAOYSA-N
XLogP2.50
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide
CID 155395021
[2-(2,6-dimethylanilino)-2-oxoethyl]-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]butyl]-diethylazanium
CID 139405008
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
7-[butyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]heptyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
CID 139404927
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide (CID 155395195) is N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide is CCCN(CCCCCNCCNCC=O)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide?
The InChIKey is JQQGBEOQKGJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-4-15-26(16-7-5-6-11-23-12-13-24-14-17-27)18-21(28)25-22-19(2)9-8-10-20(22)3/h8-10,17,23-24H,4-7,11-16,18H2,1-3H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide has a molecular weight of 390.57 g/mol, XLogP of 2.50, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide is sourced from PubChem (CID 155395195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).