N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide

C13H22N2O4 — CID 103849002

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCC1(O)CCOC1
InChIInChI=1S/C13H22N2O4/c16-11(14-9-13(18)5-7-19-10-13)8-15-6-3-1-2-4-12(15)17/h18H,1-10H2,(H,14,16)
InChIKeyNMQISPPDXQHHBA-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.34
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 103849002) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID103849002
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCC1(O)CCOC1
InChIInChI=1S/C13H22N2O4/c16-11(14-9-13(18)5-7-19-10-13)8-15-6-3-1-2-4-12(15)17/h18H,1-10H2,(H,14,16)
InChIKeyNMQISPPDXQHHBA-UHFFFAOYSA-N
XLogP-0.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-(2-oxoazepan-1-yl)acetamide
CID 66169853
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 79039196
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide
CID 103712564
6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 103849372
2-[acetyl(methyl)amino]-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849463
N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 103849519
N-[(3-methoxyoxolan-3-yl)methyl]azepane-2-carboxamide
CID 104761379
1-[(3-Methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 104766508
3-[(3-Hydroxyoxolan-3-yl)methylamino]azepan-2-one
CID 106100788
1-(Azepan-1-yl)-2-[(3-hydroxyoxolan-3-yl)methylamino]propan-1-one
CID 106100801
4-[(3-Hydroxyoxolan-3-yl)methylamino]azepan-2-one
CID 106100823
1-(Azepan-1-yl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propan-1-one
CID 106101243

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 103849002) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is NMQISPPDXQHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(14-9-13(18)5-7-19-10-13)8-15-6-3-1-2-4-12(15)17/h18H,1-10H2,(H,14,16).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 270.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 103849002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).