2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide

C11H20N2O2 — CID 66107036

IUPAC2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)CCO
InChIInChI=1S/C11H20N2O2/c1-4-6-12-11(15)10(3)13-8-9(2)5-7-14/h1,9-10,13-14H,5-8H2,2-3H3,(H,12,15)
InChIKeyLTNDHSLYAORHPV-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.27
Rot. Bonds7

About 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide

2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 66107036) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
PubChem CID66107036
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC(C)CCO
InChIInChI=1S/C11H20N2O2/c1-4-6-12-11(15)10(3)13-8-9(2)5-7-14/h1,9-10,13-14H,5-8H2,2-3H3,(H,12,15)
InChIKeyLTNDHSLYAORHPV-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxy-2-methylbutyl)amino]-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-(2-methoxyethyl)propanamide
CID 66106825
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide
CID 131230147
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 107852454
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
CID 79249900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide (CID 66107036) is 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC(C)CCO.
What is the InChIKey of 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is LTNDHSLYAORHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-12-11(15)10(3)13-8-9(2)5-7-14/h1,9-10,13-14H,5-8H2,2-3H3,(H,12,15).
What are the key properties of 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide?
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 212.29 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 66107036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).