N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide

C13H24N4O4 — CID 176888939

IUPACN-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
SMILESCCCC(=O)NCCNC(=O)CCC(=O)NCC(=O)NC
InChIInChI=1S/C13H24N4O4/c1-3-4-10(18)15-7-8-16-11(19)5-6-12(20)17-9-13(21)14-2/h3-9H2,1-2H3,(H,14,21)(H,15,18)(H,16,19)(H,17,20)
InChIKeyNPUSBAZFJMOKSY-UHFFFAOYSA-N
MW300.36 g/mol
LogP-1.34
Rot. Bonds10

About N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide

N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide (PubChem CID 176888939) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
PubChem CID176888939
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC NameN-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
SMILESCCCC(=O)NCCNC(=O)CCC(=O)NCC(=O)NC
InChIInChI=1S/C13H24N4O4/c1-3-4-10(18)15-7-8-16-11(19)5-6-12(20)17-9-13(21)14-2/h3-9H2,1-2H3,(H,14,21)(H,15,18)(H,16,19)(H,17,20)
InChIKeyNPUSBAZFJMOKSY-UHFFFAOYSA-N
XLogP-1.34
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide 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-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(methylamino)propyl]butanamide
CID 43600791
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
CID 112991542
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
2-(butanoylamino)ethylphosphonic acid
CID 88586980
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 134550363

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide?
The IUPAC name of N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide (CID 176888939) is N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide.
What is the SMILES notation for N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide?
The canonical SMILES for N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide is CCCC(=O)NCCNC(=O)CCC(=O)NCC(=O)NC.
What is the InChIKey of N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide?
The InChIKey is NPUSBAZFJMOKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-3-4-10(18)15-7-8-16-11(19)5-6-12(20)17-9-13(21)14-2/h3-9H2,1-2H3,(H,14,21)(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide?
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide has a molecular weight of 300.36 g/mol, XLogP of -1.34, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide is sourced from PubChem (CID 176888939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).