N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C13H24N2O4 — CID 103848740

IUPACN-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H24N2O4/c1-9(15-11(17)12(2,3)4)10(16)14-7-13(18)5-6-19-8-13/h9,18H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyYJDTXLCDLKMKJL-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.20
Rot. Bonds4

About N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 103848740) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID103848740
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H24N2O4/c1-9(15-11(17)12(2,3)4)10(16)14-7-13(18)5-6-19-8-13/h9,18H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyYJDTXLCDLKMKJL-UHFFFAOYSA-N
XLogP-0.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 121536819
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100461
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100937
2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101458
N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 155740109
N-ethyl-2-[(4-hydroxyoxolan-3-yl)amino]propanamide
CID 61476702
2-[(4-hydroxyoxolan-3-yl)amino]-N-propylpropanamide
CID 61477078
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712268
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 103712425
N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103712642
N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 103712765
1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 103848737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 103848740) is N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is YJDTXLCDLKMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(15-11(17)12(2,3)4)10(16)14-7-13(18)5-6-19-8-13/h9,18H,5-8H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 272.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103848740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).