N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide

C14H26N2O4 — CID 103712564

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H26N2O4/c1-14(19,7-9-20-2)11-15-12(17)10-16-8-5-3-4-6-13(16)18/h19H,3-11H2,1-2H3,(H,15,17)
InChIKeySVYZWLQJZKVWRB-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.29
Rot. Bonds7

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 103712564) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID103712564
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H26N2O4/c1-14(19,7-9-20-2)11-15-12(17)10-16-8-5-3-4-6-13(16)18/h19H,3-11H2,1-2H3,(H,15,17)
InChIKeySVYZWLQJZKVWRB-UHFFFAOYSA-N
XLogP0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103876710
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
1-(3-methoxy-2-oxopropyl)piperidin-2-one
CID 107507681
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide (CID 103712564) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide is COCCC(C)(O)CNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is SVYZWLQJZKVWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(19,7-9-20-2)11-15-12(17)10-16-8-5-3-4-6-13(16)18/h19H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 286.37 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 103712564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).