3-(ethylamino)propanamide

C5H12N2O — CID 22182168

IUPAC3-(ethylamino)propanamide
SMILESCCNCCC(N)=O
InChIInChI=1S/C5H12N2O/c1-2-7-4-3-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyPPUXNQHLNOVQRG-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.53
Rot. Bonds4

About 3-(ethylamino)propanamide

3-(ethylamino)propanamide (PubChem CID 22182168) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-(ethylamino)propanamide.

Molecular Properties

Compound Name3-(ethylamino)propanamide
PubChem CID22182168
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-(ethylamino)propanamide
SMILESCCNCCC(N)=O
InChIInChI=1S/C5H12N2O/c1-2-7-4-3-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyPPUXNQHLNOVQRG-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.53
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 3-(ethylamino)propanamide?
The IUPAC name of 3-(ethylamino)propanamide (CID 22182168) is 3-(ethylamino)propanamide.
What is the SMILES notation for 3-(ethylamino)propanamide?
The canonical SMILES for 3-(ethylamino)propanamide is CCNCCC(N)=O.
What is the InChIKey of 3-(ethylamino)propanamide?
The InChIKey is PPUXNQHLNOVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-7-4-3-5(6)8/h7H,2-4H2,1H3,(H2,6,8).
What are the key properties of 3-(ethylamino)propanamide?
3-(ethylamino)propanamide has a molecular weight of 116.16 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propanamide is sourced from PubChem (CID 22182168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).