2-(methoxyamino)-N-prop-2-ynylpropanamide

C7H12N2O2 — CID 60721257

IUPAC2-(methoxyamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NOC
InChIInChI=1S/C7H12N2O2/c1-4-5-8-7(10)6(2)9-11-3/h1,6,9H,5H2,2-3H3,(H,8,10)
InChIKeyWOKMLCNNHAYYEV-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.72
Rot. Bonds4

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

2-(methoxyamino)-N-prop-2-ynylpropanamide (PubChem CID 60721257) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(methoxyamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(methoxyamino)-N-prop-2-ynylpropanamide
PubChem CID60721257
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-(methoxyamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NOC
InChIInChI=1S/C7H12N2O2/c1-4-5-8-7(10)6(2)9-11-3/h1,6,9H,5H2,2-3H3,(H,8,10)
InChIKeyWOKMLCNNHAYYEV-UHFFFAOYSA-N
XLogP-0.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-methyl-3-oxo-3-(prop-2-ynylamino)propanoate
CID 124583347
N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82721631
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
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-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 107852454
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
CID 79249900
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
CID 79358552
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
2-anilino-N-prop-2-ynylpropanamide
CID 43112793

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(methoxyamino)-N-prop-2-ynylpropanamide (CID 60721257) is 2-(methoxyamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(methoxyamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(methoxyamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NOC.
What is the InChIKey of 2-(methoxyamino)-N-prop-2-ynylpropanamide?
The InChIKey is WOKMLCNNHAYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5-8-7(10)6(2)9-11-3/h1,6,9H,5H2,2-3H3,(H,8,10).
What are the key properties of 2-(methoxyamino)-N-prop-2-ynylpropanamide?
2-(methoxyamino)-N-prop-2-ynylpropanamide has a molecular weight of 156.19 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60721257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).