2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide

C11H20N2O2 — CID 115663958

IUPAC2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)OCC
InChIInChI=1S/C11H20N2O2/c1-5-7-12-11(14)10(4)13-8-9(3)15-6-2/h1,9-10,13H,6-8H2,2-4H3,(H,12,14)
InChIKeyYEUOBHLRHGRAJV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.14
Rot. Bonds7

About 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide

2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide (PubChem CID 115663958) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
PubChem CID115663958
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)OCC
InChIInChI=1S/C11H20N2O2/c1-5-7-12-11(14)10(4)13-8-9(3)15-6-2/h1,9-10,13H,6-8H2,2-4H3,(H,12,14)
InChIKeyYEUOBHLRHGRAJV-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940
2-(2-ethoxypropylamino)-N-phenylpropanamide
CID 115663967
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide
CID 114112865
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide (CID 115663958) is 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC(C)OCC.
What is the InChIKey of 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide?
The InChIKey is YEUOBHLRHGRAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-7-12-11(14)10(4)13-8-9(3)15-6-2/h1,9-10,13H,6-8H2,2-4H3,(H,12,14).
What are the key properties of 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide?
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 115663958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).