N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide

C13H26N4O3 — CID 154957249

IUPACN-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide
SMILESCCC(=O)NC(NC(=O)CC)(NC(=O)CC)C(C)(C)N
InChIInChI=1S/C13H26N4O3/c1-6-9(18)15-13(12(4,5)14,16-10(19)7-2)17-11(20)8-3/h6-8,14H2,1-5H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyHHSNOQQFESUGKA-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.04
Rot. Bonds7

About N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide

N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide (PubChem CID 154957249) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide.

Molecular Properties

Compound NameN-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide
PubChem CID154957249
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide
SMILESCCC(=O)NC(NC(=O)CC)(NC(=O)CC)C(C)(C)N
InChIInChI=1S/C13H26N4O3/c1-6-9(18)15-13(12(4,5)14,16-10(19)7-2)17-11(20)8-3/h6-8,14H2,1-5H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyHHSNOQQFESUGKA-UHFFFAOYSA-N
XLogP-0.04
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]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-[2-methyl-1-[2-methyl-2-(propanoylamino)propoxy]silyloxypropan-2-yl]propanamide
CID 123586830
N-(2-cyanopropan-2-yl)propanamide
CID 22972527
N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433
N-(1-chloro-2-methylbutan-2-yl)propanamide
CID 114303581
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N'-tert-butylpropanehydrazide
CID 88905686
propanehydrazide;dihydrochloride
CID 121342206
ethane;propanehydrazide
CID 143310399
N-[(E)-2,3,3-trimethylbut-1-enyl]propanamide
CID 146429738
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403
N-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143
azane;propanehydrazide;hydroiodide
CID 174716911

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide?
The IUPAC name of N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide (CID 154957249) is N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide.
What is the SMILES notation for N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide?
The canonical SMILES for N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide is CCC(=O)NC(NC(=O)CC)(NC(=O)CC)C(C)(C)N.
What is the InChIKey of N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide?
The InChIKey is HHSNOQQFESUGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-6-9(18)15-13(12(4,5)14,16-10(19)7-2)17-11(20)8-3/h6-8,14H2,1-5H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide?
N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide is sourced from PubChem (CID 154957249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).