N-[(propanoylamino)methyl]propanamide

C7H14N2O2 — CID 15273003

IUPACN-[(propanoylamino)methyl]propanamide
SMILESCCC(=O)NCNC(=O)CC
InChIInChI=1S/C7H14N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyNGXAWGOVQDFBPW-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.00
Rot. Bonds4

About N-[(propanoylamino)methyl]propanamide

N-[(propanoylamino)methyl]propanamide (PubChem CID 15273003) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[(propanoylamino)methyl]propanamide.

Molecular Properties

Compound NameN-[(propanoylamino)methyl]propanamide
PubChem CID15273003
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[(propanoylamino)methyl]propanamide
SMILESCCC(=O)NCNC(=O)CC
InChIInChI=1S/C7H14N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyNGXAWGOVQDFBPW-UHFFFAOYSA-N
XLogP-0.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
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-[(propanoylamino)methyl]propanamide?
The IUPAC name of N-[(propanoylamino)methyl]propanamide (CID 15273003) is N-[(propanoylamino)methyl]propanamide.
What is the SMILES notation for N-[(propanoylamino)methyl]propanamide?
The canonical SMILES for N-[(propanoylamino)methyl]propanamide is CCC(=O)NCNC(=O)CC.
What is the InChIKey of N-[(propanoylamino)methyl]propanamide?
The InChIKey is NGXAWGOVQDFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-[(propanoylamino)methyl]propanamide?
N-[(propanoylamino)methyl]propanamide has a molecular weight of 158.20 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(propanoylamino)methyl]propanamide is sourced from PubChem (CID 15273003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).