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

C13H24N2O4 — CID 103848990

IUPACN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)11(17)14-6-4-10(16)15-8-13(18)5-7-19-9-13/h18H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyMJKSISZYVPBIKA-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.19
Rot. Bonds5

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

N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 103848990) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID103848990
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)11(17)14-6-4-10(16)15-8-13(18)5-7-19-9-13/h18H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyMJKSISZYVPBIKA-UHFFFAOYSA-N
XLogP-0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
2-ethyl-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243046
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243047
2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 103430421
3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712377
N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103712764
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 103718349
2-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103848678
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103848706
N-[1-[(3-hydroxyoxolan-3-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 103848740
N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 103848823

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 103848990) is N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is MJKSISZYVPBIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)11(17)14-6-4-10(16)15-8-13(18)5-7-19-9-13/h18H,4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 272.34 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103848990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).