2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide

C9H20N4O2 — CID 58422041

IUPAC2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNCC(NC)C(=O)NCCC(=O)NC
InChIInChI=1S/C9H20N4O2/c1-10-6-7(11-2)9(15)13-5-4-8(14)12-3/h7,10-11H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQQXZFXIUJGGVCT-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.95
Rot. Bonds7

About 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide

2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide (PubChem CID 58422041) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide
PubChem CID58422041
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNCC(NC)C(=O)NCCC(=O)NC
InChIInChI=1S/C9H20N4O2/c1-10-6-7(11-2)9(15)13-5-4-8(14)12-3/h7,10-11H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQQXZFXIUJGGVCT-UHFFFAOYSA-N
XLogP-1.95
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
3-amino-N-methyl-2-(methylamino)propanamide;2,3-bis(methylamino)propanoic acid;N-methyl-2,3-bis(methylamino)propanamide
CID 162000379
methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate
CID 58669432
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide (CID 58422041) is 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide is CNCC(NC)C(=O)NCCC(=O)NC.
What is the InChIKey of 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide?
The InChIKey is QQXZFXIUJGGVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-10-6-7(11-2)9(15)13-5-4-8(14)12-3/h7,10-11H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide?
2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 58422041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).