2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide

C11H20N2O2 — CID 79249900

IUPAC2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(CO)C(C)C
InChIInChI=1S/C11H20N2O2/c1-5-6-12-11(15)9(4)13-10(7-14)8(2)3/h1,8-10,13-14H,6-7H2,2-4H3,(H,12,15)
InChIKeyRBYCCMMVKNMFKA-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.27
Rot. Bonds6

About 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide

2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide (PubChem CID 79249900) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
PubChem CID79249900
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(CO)C(C)C
InChIInChI=1S/C11H20N2O2/c1-5-6-12-11(15)9(4)13-10(7-14)8(2)3/h1,8-10,13-14H,6-7H2,2-4H3,(H,12,15)
InChIKeyRBYCCMMVKNMFKA-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 54958686
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-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide (CID 79249900) is 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC(CO)C(C)C.
What is the InChIKey of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is RBYCCMMVKNMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-12-11(15)9(4)13-10(7-14)8(2)3/h1,8-10,13-14H,6-7H2,2-4H3,(H,12,15).
What are the key properties of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide?
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 212.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 79249900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).