N-(acetamidomethyl)propanamide

C6H12N2O2 — CID 20653399

IUPACN-(acetamidomethyl)propanamide
SMILESCCC(=O)NCNC(C)=O
InChIInChI=1S/C6H12N2O2/c1-3-6(10)8-4-7-5(2)9/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyIAEQWFDMQWCFDK-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.39
Rot. Bonds3

About N-(acetamidomethyl)propanamide

N-(acetamidomethyl)propanamide (PubChem CID 20653399) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(acetamidomethyl)propanamide.

Molecular Properties

Compound NameN-(acetamidomethyl)propanamide
PubChem CID20653399
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(acetamidomethyl)propanamide
SMILESCCC(=O)NCNC(C)=O
InChIInChI=1S/C6H12N2O2/c1-3-6(10)8-4-7-5(2)9/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyIAEQWFDMQWCFDK-UHFFFAOYSA-N
XLogP-0.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.39
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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Related Compounds

Acetamide, N,N'-ethylidenebis-
CID 79259
Acetamide, N-[(methylamino)carbonyl]-
CID 69337
2-Cyano-N-((methylamino)carbonyl)acetamide
CID 81447
2-Cyano-N-[(ethylamino)carbonyl]acetamide
CID 170460
N,N'-Methylenebis(acetamide)
CID 77460
Acetamide, N-((dimethylamino)methyl)-
CID 96002
N-(Bis-acetylamino-methyl)-acetamide
CID 536854
Acetamide, N,N'-propylidenebis-
CID 11205923
N-methylene bispropionamide
CID 15273003
N-[bis(propanoylamino)methyl]propanamide
CID 15326915
N-acetyldiaminopropane
CID 21996673
2-cyano-N-((propylamino)carbonyl)acetamide
CID 3016249

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)propanamide?
The IUPAC name of N-(acetamidomethyl)propanamide (CID 20653399) is N-(acetamidomethyl)propanamide.
What is the SMILES notation for N-(acetamidomethyl)propanamide?
The canonical SMILES for N-(acetamidomethyl)propanamide is CCC(=O)NCNC(C)=O.
What is the InChIKey of N-(acetamidomethyl)propanamide?
The InChIKey is IAEQWFDMQWCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-6(10)8-4-7-5(2)9/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N-(acetamidomethyl)propanamide?
N-(acetamidomethyl)propanamide has a molecular weight of 144.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)propanamide is sourced from PubChem (CID 20653399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).