3-(ethylamino)-N-(2-ethylhexyl)propanamide

C13H28N2O — CID 62834599

IUPAC3-(ethylamino)-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCNCC
InChIInChI=1S/C13H28N2O/c1-4-7-8-12(5-2)11-15-13(16)9-10-14-6-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyMCKDFTKIBKHCOR-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds10

About 3-(ethylamino)-N-(2-ethylhexyl)propanamide

3-(ethylamino)-N-(2-ethylhexyl)propanamide (PubChem CID 62834599) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-ethylhexyl)propanamide
PubChem CID62834599
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(ethylamino)-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCNCC
InChIInChI=1S/C13H28N2O/c1-4-7-8-12(5-2)11-15-13(16)9-10-14-6-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyMCKDFTKIBKHCOR-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
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

4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N,2-diethylhexan-1-amine
CID 14272988
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-ethylhexyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(2-ethylhexyl)propanamide (CID 62834599) is 3-(ethylamino)-N-(2-ethylhexyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-ethylhexyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-ethylhexyl)propanamide is CCCCC(CC)CNC(=O)CCNCC.
What is the InChIKey of 3-(ethylamino)-N-(2-ethylhexyl)propanamide?
The InChIKey is MCKDFTKIBKHCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-8-12(5-2)11-15-13(16)9-10-14-6-3/h12,14H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 3-(ethylamino)-N-(2-ethylhexyl)propanamide?
3-(ethylamino)-N-(2-ethylhexyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-ethylhexyl)propanamide is sourced from PubChem (CID 62834599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).