N-ethylethanamine;propanamide

C7H18N2O — CID 172821181

IUPACN-ethylethanamine;propanamide
SMILESCCC(N)=O.CCNCC
InChIInChI=1S/C4H11N.C3H7NO/c1-3-5-4-2;1-2-3(4)5/h5H,3-4H2,1-2H3;2H2,1H3,(H2,4,5)
InChIKeyUGBMMASEESKNCP-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.50
Rot. Bonds3

About N-ethylethanamine;propanamide

N-ethylethanamine;propanamide (PubChem CID 172821181) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is N-ethylethanamine;propanamide.

Molecular Properties

Compound NameN-ethylethanamine;propanamide
PubChem CID172821181
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameN-ethylethanamine;propanamide
SMILESCCC(N)=O.CCNCC
InChIInChI=1S/C4H11N.C3H7NO/c1-3-5-4-2;1-2-3(4)5/h5H,3-4H2,1-2H3;2H2,1H3,(H2,4,5)
InChIKeyUGBMMASEESKNCP-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

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calcium;N-ethylethanamine;hydride;propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;propanamide?
The IUPAC name of N-ethylethanamine;propanamide (CID 172821181) is N-ethylethanamine;propanamide.
What is the SMILES notation for N-ethylethanamine;propanamide?
The canonical SMILES for N-ethylethanamine;propanamide is CCC(N)=O.CCNCC.
What is the InChIKey of N-ethylethanamine;propanamide?
The InChIKey is UGBMMASEESKNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H7NO/c1-3-5-4-2;1-2-3(4)5/h5H,3-4H2,1-2H3;2H2,1H3,(H2,4,5).
What are the key properties of N-ethylethanamine;propanamide?
N-ethylethanamine;propanamide has a molecular weight of 146.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;propanamide is sourced from PubChem (CID 172821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).