[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium

C13H20N3O2+ — CID 8772697

IUPAC[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)NCc1ccccc1C
InChIInChI=1S/C13H19N3O2/c1-10-5-3-4-6-11(10)7-16-13(18)9-15-8-12(17)14-2/h3-6,15H,7-9H2,1-2H3,(H,14,17)(H,16,18)/p+1
InChIKeyBKUHPSNHDIRIGP-UHFFFAOYSA-O
MW250.32 g/mol
LogP-1.08
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium

[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8772697) has the molecular formula C13H20N3O2+ and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8772697
Molecular FormulaC13H20N3O2+
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)NCc1ccccc1C
InChIInChI=1S/C13H19N3O2/c1-10-5-3-4-6-11(10)7-16-13(18)9-15-8-12(17)14-2/h3-6,15H,7-9H2,1-2H3,(H,14,17)(H,16,18)/p+1
InChIKeyBKUHPSNHDIRIGP-UHFFFAOYSA-O
XLogP-1.08
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133008
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 110678201
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
(E)-3-bromo-2,3-diiodo-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 88726375
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium (CID 8772697) is [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium is CNC(=O)C[NH2+]CC(=O)NCc1ccccc1C.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is BKUHPSNHDIRIGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O2/c1-10-5-3-4-6-11(10)7-16-13(18)9-15-8-12(17)14-2/h3-6,15H,7-9H2,1-2H3,(H,14,17)(H,16,18)/p+1.
What are the key properties of [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium?
[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 250.32 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8772697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).