2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide

C13H19N3O2 — CID 104547416

IUPAC2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCC(=O)NC
InChIInChI=1S/C13H19N3O2/c1-14-8-7-10-5-3-4-6-11(10)13(18)16-9-12(17)15-2/h3-6,14H,7-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQQCDRYIGSVURKP-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.08
Rot. Bonds6

About 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide

2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 104547416) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID104547416
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCC(=O)NC
InChIInChI=1S/C13H19N3O2/c1-14-8-7-10-5-3-4-6-11(10)13(18)16-9-12(17)15-2/h3-6,14H,7-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQQCDRYIGSVURKP-UHFFFAOYSA-N
XLogP-0.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 104547416) is 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide is CNCCc1ccccc1C(=O)NCC(=O)NC.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is QQCDRYIGSVURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-8-7-10-5-3-4-6-11(10)13(18)16-9-12(17)15-2/h3-6,14H,7-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide?
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 104547416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).