N-[4-(propanoylamino)butyl]propanamide

C10H20N2O2 — CID 2167047

IUPACN-[4-(propanoylamino)butyl]propanamide
SMILESCCC(=O)NCCCCNC(=O)CC
InChIInChI=1S/C10H20N2O2/c1-3-9(13)11-7-5-6-8-12-10(14)4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyPNTPOZQNDPIOQL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds7

About N-[4-(propanoylamino)butyl]propanamide

N-[4-(propanoylamino)butyl]propanamide (PubChem CID 2167047) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[4-(propanoylamino)butyl]propanamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)butyl]propanamide
PubChem CID2167047
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[4-(propanoylamino)butyl]propanamide
SMILESCCC(=O)NCCCCNC(=O)CC
InChIInChI=1S/C10H20N2O2/c1-3-9(13)11-7-5-6-8-12-10(14)4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyPNTPOZQNDPIOQL-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)butyl]propanamide?
The IUPAC name of N-[4-(propanoylamino)butyl]propanamide (CID 2167047) is N-[4-(propanoylamino)butyl]propanamide.
What is the SMILES notation for N-[4-(propanoylamino)butyl]propanamide?
The canonical SMILES for N-[4-(propanoylamino)butyl]propanamide is CCC(=O)NCCCCNC(=O)CC.
What is the InChIKey of N-[4-(propanoylamino)butyl]propanamide?
The InChIKey is PNTPOZQNDPIOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(13)11-7-5-6-8-12-10(14)4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[4-(propanoylamino)butyl]propanamide?
N-[4-(propanoylamino)butyl]propanamide has a molecular weight of 200.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)butyl]propanamide is sourced from PubChem (CID 2167047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).