N-(3-acetamidopropyl)acetamide

C7H14N2O2 — CID 5147555

IUPACN-(3-acetamidopropyl)acetamide
SMILESCC(=O)NCCCNC(C)=O
InChIInChI=1S/C7H14N2O2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyZKNABVGKDQELOH-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.35
Rot. Bonds4

About N-(3-acetamidopropyl)acetamide

N-(3-acetamidopropyl)acetamide (PubChem CID 5147555) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-(3-acetamidopropyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)acetamide
PubChem CID5147555
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-(3-acetamidopropyl)acetamide
SMILESCC(=O)NCCCNC(C)=O
InChIInChI=1S/C7H14N2O2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyZKNABVGKDQELOH-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
CID 59075972
CID 59075972
N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
CID 138631206
N-nonadecylacetamide
CID 54574805
N-butylacetamide;molecular hydrogen
CID 142252069
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N'-(3-acetamidopropyl)-N-butylpropanediamide
CID 59843703
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-(8-oxononyl)acetamide
CID 58114719

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)acetamide?
The IUPAC name of N-(3-acetamidopropyl)acetamide (CID 5147555) is N-(3-acetamidopropyl)acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)acetamide?
The canonical SMILES for N-(3-acetamidopropyl)acetamide is CC(=O)NCCCNC(C)=O.
What is the InChIKey of N-(3-acetamidopropyl)acetamide?
The InChIKey is ZKNABVGKDQELOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-(3-acetamidopropyl)acetamide?
N-(3-acetamidopropyl)acetamide has a molecular weight of 158.20 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)acetamide is sourced from PubChem (CID 5147555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).