2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide

C11H20N2O3 — CID 115760659

IUPAC2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
SMILESCC1CN(C(=O)NC2CCOC2)CCCO1
InChIInChI=1S/C11H20N2O3/c1-9-7-13(4-2-5-16-9)11(14)12-10-3-6-15-8-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyIWWXSFUXSXIGPK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.60
Rot. Bonds1

About 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide

2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide (PubChem CID 115760659) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
PubChem CID115760659
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
SMILESCC1CN(C(=O)NC2CCOC2)CCCO1
InChIInChI=1S/C11H20N2O3/c1-9-7-13(4-2-5-16-9)11(14)12-10-3-6-15-8-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyIWWXSFUXSXIGPK-UHFFFAOYSA-N
XLogP0.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115760770
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
CID 124606255
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
2,2-dimethyl-N-(oxolan-3-yl)pyrrolidine-1-carboxamide
CID 115760684
(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
CID 94030377
6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 116657207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide (CID 115760659) is 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide is CC1CN(C(=O)NC2CCOC2)CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide?
The InChIKey is IWWXSFUXSXIGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9-7-13(4-2-5-16-9)11(14)12-10-3-6-15-8-10/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide?
2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 115760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).