N-[[methyl(propanoyl)amino]methyl]propanamide

C8H16N2O2 — CID 20671552

IUPACN-[[methyl(propanoyl)amino]methyl]propanamide
SMILESCCC(=O)NCN(C)C(=O)CC
InChIInChI=1S/C8H16N2O2/c1-4-7(11)9-6-10(3)8(12)5-2/h4-6H2,1-3H3,(H,9,11)
InChIKeyLUJUZXWKOVEIFT-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.34
Rot. Bonds4

About N-[[methyl(propanoyl)amino]methyl]propanamide

N-[[methyl(propanoyl)amino]methyl]propanamide (PubChem CID 20671552) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[[methyl(propanoyl)amino]methyl]propanamide.

Molecular Properties

Compound NameN-[[methyl(propanoyl)amino]methyl]propanamide
PubChem CID20671552
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[[methyl(propanoyl)amino]methyl]propanamide
SMILESCCC(=O)NCN(C)C(=O)CC
InChIInChI=1S/C8H16N2O2/c1-4-7(11)9-6-10(3)8(12)5-2/h4-6H2,1-3H3,(H,9,11)
InChIKeyLUJUZXWKOVEIFT-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[methyl(propanoyl)amino]methyl]propanamide?
The IUPAC name of N-[[methyl(propanoyl)amino]methyl]propanamide (CID 20671552) is N-[[methyl(propanoyl)amino]methyl]propanamide.
What is the SMILES notation for N-[[methyl(propanoyl)amino]methyl]propanamide?
The canonical SMILES for N-[[methyl(propanoyl)amino]methyl]propanamide is CCC(=O)NCN(C)C(=O)CC.
What is the InChIKey of N-[[methyl(propanoyl)amino]methyl]propanamide?
The InChIKey is LUJUZXWKOVEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-7(11)9-6-10(3)8(12)5-2/h4-6H2,1-3H3,(H,9,11).
What are the key properties of N-[[methyl(propanoyl)amino]methyl]propanamide?
N-[[methyl(propanoyl)amino]methyl]propanamide has a molecular weight of 172.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methyl(propanoyl)amino]methyl]propanamide is sourced from PubChem (CID 20671552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).