ethane;3-(ethylamino)propanamide

C7H18N2O — CID 156743022

IUPACethane;3-(ethylamino)propanamide
SMILESCC.CCNCCC(N)=O
InChIInChI=1S/C5H12N2O.C2H6/c1-2-7-4-3-5(6)8;1-2/h7H,2-4H2,1H3,(H2,6,8);1-2H3
InChIKeyIMEGEOXADLBHBJ-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.50
Rot. Bonds4

About ethane;3-(ethylamino)propanamide

ethane;3-(ethylamino)propanamide (PubChem CID 156743022) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;3-(ethylamino)propanamide.

Molecular Properties

Compound Nameethane;3-(ethylamino)propanamide
PubChem CID156743022
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Nameethane;3-(ethylamino)propanamide
SMILESCC.CCNCCC(N)=O
InChIInChI=1S/C5H12N2O.C2H6/c1-2-7-4-3-5(6)8;1-2/h7H,2-4H2,1H3,(H2,6,8);1-2H3
InChIKeyIMEGEOXADLBHBJ-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.50
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

3-(ethylamino)propanamide;prop-2-enoic acid
CID 22182171
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
3-(aminomethylamino)propanamide
CID 123274483
N-ethylethanamine;propanamide
CID 172821181
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
3-(prop-2-ynylamino)propanamide
CID 43090029
CID 158833027
CID 158833027
3-(3-ethylsulfanylpropylamino)propanamide
CID 104586816
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
4-(propylamino)butanamide
CID 21468794

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethylamino)propanamide?
The IUPAC name of ethane;3-(ethylamino)propanamide (CID 156743022) is ethane;3-(ethylamino)propanamide.
What is the SMILES notation for ethane;3-(ethylamino)propanamide?
The canonical SMILES for ethane;3-(ethylamino)propanamide is CC.CCNCCC(N)=O.
What is the InChIKey of ethane;3-(ethylamino)propanamide?
The InChIKey is IMEGEOXADLBHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c1-2-7-4-3-5(6)8;1-2/h7H,2-4H2,1H3,(H2,6,8);1-2H3.
What are the key properties of ethane;3-(ethylamino)propanamide?
ethane;3-(ethylamino)propanamide has a molecular weight of 146.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethylamino)propanamide is sourced from PubChem (CID 156743022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).