2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide

C8H18N4O2 — CID 77030474

IUPAC2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)C(N)=NO
InChIInChI=1S/C8H18N4O2/c1-5(2)11-7(13)4-10-6(3)8(9)12-14/h5-6,10,14H,4H2,1-3H3,(H2,9,12)(H,11,13)
InChIKeyMEOSNQJQJQPWLL-UHFFFAOYSA-N
MW202.26 g/mol
LogP-0.76
Rot. Bonds5

About 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide

2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 77030474) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID77030474
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)C(N)=NO
InChIInChI=1S/C8H18N4O2/c1-5(2)11-7(13)4-10-6(3)8(9)12-14/h5-6,10,14H,4H2,1-3H3,(H2,9,12)(H,11,13)
InChIKeyMEOSNQJQJQPWLL-UHFFFAOYSA-N
XLogP-0.76
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide (CID 77030474) is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)C(N)=NO.
What is the InChIKey of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is MEOSNQJQJQPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-5(2)11-7(13)4-10-6(3)8(9)12-14/h5-6,10,14H,4H2,1-3H3,(H2,9,12)(H,11,13).
What are the key properties of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide?
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 202.26 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 77030474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).