N'-(1-hydroxypropan-2-yl)-N-methyloxamide

C6H12N2O3 — CID 130666774

IUPACN'-(1-hydroxypropan-2-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)NC(C)CO
InChIInChI=1S/C6H12N2O3/c1-4(3-9)8-6(11)5(10)7-2/h4,9H,3H2,1-2H3,(H,7,10)(H,8,11)
InChIKeyPIABQRVIHKHOEE-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.77
Rot. Bonds2

About N'-(1-hydroxypropan-2-yl)-N-methyloxamide

N'-(1-hydroxypropan-2-yl)-N-methyloxamide (PubChem CID 130666774) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is N'-(1-hydroxypropan-2-yl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(1-hydroxypropan-2-yl)-N-methyloxamide
PubChem CID130666774
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC NameN'-(1-hydroxypropan-2-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)NC(C)CO
InChIInChI=1S/C6H12N2O3/c1-4(3-9)8-6(11)5(10)7-2/h4,9H,3H2,1-2H3,(H,7,10)(H,8,11)
InChIKeyPIABQRVIHKHOEE-UHFFFAOYSA-N
XLogP-1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,3-dimethylbut-2-enamide
CID 130679388
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N,N'-di((113C)methyl)oxamide
CID 169438737
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111629756
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxypropan-2-yl)-N-methyloxamide?
The IUPAC name of N'-(1-hydroxypropan-2-yl)-N-methyloxamide (CID 130666774) is N'-(1-hydroxypropan-2-yl)-N-methyloxamide.
What is the SMILES notation for N'-(1-hydroxypropan-2-yl)-N-methyloxamide?
The canonical SMILES for N'-(1-hydroxypropan-2-yl)-N-methyloxamide is CNC(=O)C(=O)NC(C)CO.
What is the InChIKey of N'-(1-hydroxypropan-2-yl)-N-methyloxamide?
The InChIKey is PIABQRVIHKHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(3-9)8-6(11)5(10)7-2/h4,9H,3H2,1-2H3,(H,7,10)(H,8,11).
What are the key properties of N'-(1-hydroxypropan-2-yl)-N-methyloxamide?
N'-(1-hydroxypropan-2-yl)-N-methyloxamide has a molecular weight of 160.17 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxypropan-2-yl)-N-methyloxamide is sourced from PubChem (CID 130666774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).