N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide

C15H25N3O — CID 18005848

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
SMILESCNCCCN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H25N3O/c1-12-7-5-8-13(2)15(12)17-14(19)11-18(4)10-6-9-16-3/h5,7-8,16H,6,9-11H2,1-4H3,(H,17,19)
InChIKeyKFUSBFFOBRDTPR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.78
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide (PubChem CID 18005848) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
PubChem CID18005848
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
SMILESCNCCCN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H25N3O/c1-12-7-5-8-13(2)15(12)17-14(19)11-18(4)10-6-9-16-3/h5,7-8,16H,6,9-11H2,1-4H3,(H,17,19)
InChIKeyKFUSBFFOBRDTPR-UHFFFAOYSA-N
XLogP1.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.78
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

N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
CID 8793773
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
2-[2-[4,4-bis(4-fluorophenyl)butyl-methylamino]ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 3042849
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
N-(2,6-dimethylphenyl)-2-[methyl(methylsulfonylsulfanylmethyl)amino]acetamide
CID 22174350

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide (CID 18005848) is N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide is CNCCCN(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide?
The InChIKey is KFUSBFFOBRDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-7-5-8-13(2)15(12)17-14(19)11-18(4)10-6-9-16-3/h5,7-8,16H,6,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide is sourced from PubChem (CID 18005848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).