N-[bis(propanoylamino)methyl]propanamide

C10H19N3O3 — CID 15326915

IUPACN-[bis(propanoylamino)methyl]propanamide
SMILESCCC(=O)NC(NC(=O)CC)NC(=O)CC
InChIInChI=1S/C10H19N3O3/c1-4-7(14)11-10(12-8(15)5-2)13-9(16)6-3/h10H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyUFPBHIOFXNCGCM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.15
Rot. Bonds6

About N-[bis(propanoylamino)methyl]propanamide

N-[bis(propanoylamino)methyl]propanamide (PubChem CID 15326915) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[bis(propanoylamino)methyl]propanamide.

Molecular Properties

Compound NameN-[bis(propanoylamino)methyl]propanamide
PubChem CID15326915
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-[bis(propanoylamino)methyl]propanamide
SMILESCCC(=O)NC(NC(=O)CC)NC(=O)CC
InChIInChI=1S/C10H19N3O3/c1-4-7(14)11-10(12-8(15)5-2)13-9(16)6-3/h10H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyUFPBHIOFXNCGCM-UHFFFAOYSA-N
XLogP-0.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(propanoylamino)methyl]propanamide?
The IUPAC name of N-[bis(propanoylamino)methyl]propanamide (CID 15326915) is N-[bis(propanoylamino)methyl]propanamide.
What is the SMILES notation for N-[bis(propanoylamino)methyl]propanamide?
The canonical SMILES for N-[bis(propanoylamino)methyl]propanamide is CCC(=O)NC(NC(=O)CC)NC(=O)CC.
What is the InChIKey of N-[bis(propanoylamino)methyl]propanamide?
The InChIKey is UFPBHIOFXNCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-7(14)11-10(12-8(15)5-2)13-9(16)6-3/h10H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of N-[bis(propanoylamino)methyl]propanamide?
N-[bis(propanoylamino)methyl]propanamide has a molecular weight of 229.28 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(propanoylamino)methyl]propanamide is sourced from PubChem (CID 15326915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).