4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide

C10H19NO4 — CID 18728836

IUPAC4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide
SMILESCC(O)CN(C)C(=O)CC(=O)C(C)(C)O
InChIInChI=1S/C10H19NO4/c1-7(12)6-11(4)9(14)5-8(13)10(2,3)15/h7,12,15H,5-6H2,1-4H3
InChIKeyGWKAADIZCMXVMY-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.44
Rot. Bonds5

About 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide

4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide (PubChem CID 18728836) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide
PubChem CID18728836
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide
SMILESCC(O)CN(C)C(=O)CC(=O)C(C)(C)O
InChIInChI=1S/C10H19NO4/c1-7(12)6-11(4)9(14)5-8(13)10(2,3)15/h7,12,15H,5-6H2,1-4H3
InChIKeyGWKAADIZCMXVMY-UHFFFAOYSA-N
XLogP-0.44
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
CID 170154459
3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66002629
N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79280206
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62333398

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide (CID 18728836) is 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide is CC(O)CN(C)C(=O)CC(=O)C(C)(C)O.
What is the InChIKey of 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide?
The InChIKey is GWKAADIZCMXVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(12)6-11(4)9(14)5-8(13)10(2,3)15/h7,12,15H,5-6H2,1-4H3.
What are the key properties of 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide?
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide has a molecular weight of 217.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 18728836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).