N-[bis(butanoylamino)methyl]butanamide

C13H25N3O3 — CID 44719771

IUPACN-[bis(butanoylamino)methyl]butanamide
SMILESCCCC(=O)NC(NC(=O)CCC)NC(=O)CCC
InChIInChI=1S/C13H25N3O3/c1-4-7-10(17)14-13(15-11(18)8-5-2)16-12(19)9-6-3/h13H,4-9H2,1-3H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyCLQLVTJHHFILGK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.02
Rot. Bonds9

About N-[bis(butanoylamino)methyl]butanamide

N-[bis(butanoylamino)methyl]butanamide (PubChem CID 44719771) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[bis(butanoylamino)methyl]butanamide.

Molecular Properties

Compound NameN-[bis(butanoylamino)methyl]butanamide
PubChem CID44719771
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[bis(butanoylamino)methyl]butanamide
SMILESCCCC(=O)NC(NC(=O)CCC)NC(=O)CCC
InChIInChI=1S/C13H25N3O3/c1-4-7-10(17)14-13(15-11(18)8-5-2)16-12(19)9-6-3/h13H,4-9H2,1-3H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyCLQLVTJHHFILGK-UHFFFAOYSA-N
XLogP1.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.02
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(butanoylamino)methyl]butanamide?
The IUPAC name of N-[bis(butanoylamino)methyl]butanamide (CID 44719771) is N-[bis(butanoylamino)methyl]butanamide.
What is the SMILES notation for N-[bis(butanoylamino)methyl]butanamide?
The canonical SMILES for N-[bis(butanoylamino)methyl]butanamide is CCCC(=O)NC(NC(=O)CCC)NC(=O)CCC.
What is the InChIKey of N-[bis(butanoylamino)methyl]butanamide?
The InChIKey is CLQLVTJHHFILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-7-10(17)14-13(15-11(18)8-5-2)16-12(19)9-6-3/h13H,4-9H2,1-3H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of N-[bis(butanoylamino)methyl]butanamide?
N-[bis(butanoylamino)methyl]butanamide has a molecular weight of 271.36 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(butanoylamino)methyl]butanamide is sourced from PubChem (CID 44719771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).