N'-tert-butyl-N-(2-hydroxypropyl)oxamide

C9H18N2O3 — CID 45000136

IUPACN'-tert-butyl-N-(2-hydroxypropyl)oxamide
SMILESCC(O)CNC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-6(12)5-10-7(13)8(14)11-9(2,3)4/h6,12H,5H2,1-4H3,(H,10,13)(H,11,14)
InChIKeyMKIQFTVCGINPFE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.60
Rot. Bonds2

About N'-tert-butyl-N-(2-hydroxypropyl)oxamide

N'-tert-butyl-N-(2-hydroxypropyl)oxamide (PubChem CID 45000136) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-hydroxypropyl)oxamide
PubChem CID45000136
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN'-tert-butyl-N-(2-hydroxypropyl)oxamide
SMILESCC(O)CNC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-6(12)5-10-7(13)8(14)11-9(2,3)4/h6,12H,5H2,1-4H3,(H,10,13)(H,11,14)
InChIKeyMKIQFTVCGINPFE-UHFFFAOYSA-N
XLogP-0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.60
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

Propanamide, 2,2'-(1,2-diazenediyl)bis[N-(2-hydroxyethyl)-2-methyl-
CID 381605
ST040666
CID 469965
2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
2-[1-(hydroxymethyl)propylamino]-N-sec-butyl-acetamide
CID 469963
N1-cyclopropyl-N2-(1-hydroxy-2-methylpropan-2-yl)oxalamide
CID 18588791
N1-cyclopentyl-N2-(2-hydroxypropyl)oxalamide
CID 44995650
(S)-1-(N-cyclopentylcarbamoylcarbonylamino)-2-propanol
CID 51469257
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylacetamide
CID 45798762
N-[2-[[(2S)-2-hydroxybutyl]-propan-2-ylamino]ethyl]acetamide
CID 121525553
2-(2-Amino-2-methylpropionylamino)ethanol
CID 21652799
2-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105646053
N,N'-bis(2-hydroxypropyl)oxamide
CID 283383

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-hydroxypropyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(2-hydroxypropyl)oxamide (CID 45000136) is N'-tert-butyl-N-(2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(2-hydroxypropyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(2-hydroxypropyl)oxamide is CC(O)CNC(=O)C(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(2-hydroxypropyl)oxamide?
The InChIKey is MKIQFTVCGINPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(12)5-10-7(13)8(14)11-9(2,3)4/h6,12H,5H2,1-4H3,(H,10,13)(H,11,14).
What are the key properties of N'-tert-butyl-N-(2-hydroxypropyl)oxamide?
N'-tert-butyl-N-(2-hydroxypropyl)oxamide has a molecular weight of 202.25 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-hydroxypropyl)oxamide is sourced from PubChem (CID 45000136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).