3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide

C10H20N2O2 — CID 130834986

IUPAC3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
SMILESCC(C)NC(=O)N1CCCOCC1C
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(13)12-5-4-6-14-7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyRBRKVYXUCUYCGG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds1

About 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide

3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide (PubChem CID 130834986) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
PubChem CID130834986
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
SMILESCC(C)NC(=O)N1CCCOCC1C
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(13)12-5-4-6-14-7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyRBRKVYXUCUYCGG-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 130847241
2-chloro-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 127001228
propan-2-yl 3-methyl-1,4-oxazepane-4-carboxylate
CID 130987232
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
3-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 51083633
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
CID 97340934
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
2-(3-methyl-1,4-oxazepan-4-yl)propanamide
CID 130943361
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
CID 86768543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide (CID 130834986) is 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide is CC(C)NC(=O)N1CCCOCC1C.
What is the InChIKey of 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide?
The InChIKey is RBRKVYXUCUYCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-10(13)12-5-4-6-14-7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide?
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 130834986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).