2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide

C30H46N4O2 — CID 155395021

IUPAC2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCCN(CCCCCCCNCC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C30H46N4O2/c1-6-19-34(22-28(36)33-30-25(4)16-13-17-26(30)5)20-11-9-7-8-10-18-31-21-27(35)32-29-23(2)14-12-15-24(29)3/h12-17,31H,6-11,18-22H2,1-5H3,(H,32,35)(H,33,36)
InChIKeyNXVUWAWODUWEDY-UHFFFAOYSA-N
MW494.72 g/mol
LogP5.75
Rot. Bonds16

About 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide

2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 155395021) has the molecular formula C30H46N4O2 and a molecular weight of 494.72 g/mol. Its IUPAC name is 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID155395021
Molecular FormulaC30H46N4O2
Molecular Weight494.72 g/mol
Exact Mass494.36
IUPAC Name2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCCN(CCCCCCCNCC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C30H46N4O2/c1-6-19-34(22-28(36)33-30-25(4)16-13-17-26(30)5)20-11-9-7-8-10-18-31-21-27(35)32-29-23(2)14-12-15-24(29)3/h12-17,31H,6-11,18-22H2,1-5H3,(H,32,35)(H,33,36)
InChIKeyNXVUWAWODUWEDY-UHFFFAOYSA-N
XLogP5.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[5-[2-(2-oxoethylamino)ethylamino]pentyl-propylamino]acetamide
CID 155395195
[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
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
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]butanoic acid
CID 3079018
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
[2-(2,6-dimethylanilino)-2-oxoethyl]-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]heptyl]-ethyl-propylazanium
CID 139406965
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide (CID 155395021) is 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide is CCCN(CCCCCCCNCC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is NXVUWAWODUWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O2/c1-6-19-34(22-28(36)33-30-25(4)16-13-17-26(30)5)20-11-9-7-8-10-18-31-21-27(35)32-29-23(2)14-12-15-24(29)3/h12-17,31H,6-11,18-22H2,1-5H3,(H,32,35)(H,33,36).
What are the key properties of 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 494.72 g/mol, XLogP of 5.75, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 155395021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).