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

C9H20N2O — CID 62832271

IUPAC3-(ethylamino)-N-(2-methylpropyl)propanamide
SMILESCCNCCC(=O)NCC(C)C
InChIInChI=1S/C9H20N2O/c1-4-10-6-5-9(12)11-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyYODIQOVHBCIYNJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds6

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

3-(ethylamino)-N-(2-methylpropyl)propanamide (PubChem CID 62832271) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methylpropyl)propanamide
PubChem CID62832271
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(ethylamino)-N-(2-methylpropyl)propanamide
SMILESCCNCCC(=O)NCC(C)C
InChIInChI=1S/C9H20N2O/c1-4-10-6-5-9(12)11-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyYODIQOVHBCIYNJ-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
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-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226
3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
CID 107900289
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one
CID 126706773

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(2-methylpropyl)propanamide (CID 62832271) is 3-(ethylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methylpropyl)propanamide is CCNCCC(=O)NCC(C)C.
What is the InChIKey of 3-(ethylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is YODIQOVHBCIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-10-6-5-9(12)11-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-(ethylamino)-N-(2-methylpropyl)propanamide?
3-(ethylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 62832271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).