N-methyl-1,4-oxazepane-6-carboxamide

C7H14N2O2 — CID 66510045

IUPACN-methyl-1,4-oxazepane-6-carboxamide
SMILESCNC(=O)C1CNCCOC1
InChIInChI=1S/C7H14N2O2/c1-8-7(10)6-4-9-2-3-11-5-6/h6,9H,2-5H2,1H3,(H,8,10)
InChIKeyLLORHXLUYBZPCR-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.03
Rot. Bonds1

About N-methyl-1,4-oxazepane-6-carboxamide

N-methyl-1,4-oxazepane-6-carboxamide (PubChem CID 66510045) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-methyl-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1,4-oxazepane-6-carboxamide
PubChem CID66510045
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-methyl-1,4-oxazepane-6-carboxamide
SMILESCNC(=O)C1CNCCOC1
InChIInChI=1S/C7H14N2O2/c1-8-7(10)6-4-9-2-3-11-5-6/h6,9H,2-5H2,1H3,(H,8,10)
InChIKeyLLORHXLUYBZPCR-UHFFFAOYSA-N
XLogP-1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(6S)-6-methyl-1,4-oxazepane;hydrochloride
CID 172639102
(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 71682974
oxolan-3-yl(pyrrolidin-3-yl)methanone
CID 116568253
(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide
CID 96839594
[(3R)-oxan-3-yl]-[(3R)-piperidin-3-yl]methanone
CID 124675211
[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1,4-oxazepan-6-yl)methanone;hydrochloride
CID 154919510
N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
CID 121346627
N-[2-(5-chloro-3H-indol-2-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
CID 161223080
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide
CID 113483594
5-methyl-N-(oxolan-3-yl)piperidine-3-carboxamide
CID 80712802

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-oxazepane-6-carboxamide?
The IUPAC name of N-methyl-1,4-oxazepane-6-carboxamide (CID 66510045) is N-methyl-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for N-methyl-1,4-oxazepane-6-carboxamide?
The canonical SMILES for N-methyl-1,4-oxazepane-6-carboxamide is CNC(=O)C1CNCCOC1.
What is the InChIKey of N-methyl-1,4-oxazepane-6-carboxamide?
The InChIKey is LLORHXLUYBZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-7(10)6-4-9-2-3-11-5-6/h6,9H,2-5H2,1H3,(H,8,10).
What are the key properties of N-methyl-1,4-oxazepane-6-carboxamide?
N-methyl-1,4-oxazepane-6-carboxamide has a molecular weight of 158.20 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 66510045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).