2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C14H26N2O3 — CID 136511579

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESCC1CCC(C)N1CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C14H26N2O3/c1-11-3-4-12(2)16(11)9-13(17)15-10-14(18)5-7-19-8-6-14/h11-12,18H,3-10H2,1-2H3,(H,15,17)
InChIKeyWMKJOVHJYRMBCT-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.52
Rot. Bonds4

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 136511579) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID136511579
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESCC1CCC(C)N1CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C14H26N2O3/c1-11-3-4-12(2)16(11)9-13(17)15-10-14(18)5-7-19-8-6-14/h11-12,18H,3-10H2,1-2H3,(H,15,17)
InChIKeyWMKJOVHJYRMBCT-UHFFFAOYSA-N
XLogP0.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209200
N-[(1-hydroxycyclopentyl)methyl]-2-morpholin-4-ylacetamide
CID 110011664
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
2-butylsulfanyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039775
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 81130731
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442458
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 79039361
1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 81130808
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 136511579) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is CC1CCC(C)N1CC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is WMKJOVHJYRMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-3-4-12(2)16(11)9-13(17)15-10-14(18)5-7-19-8-6-14/h11-12,18H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 136511579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).