2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide

C9H18N2O2 — CID 130684724

IUPAC2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
SMILESCC1(C)CN(CC(N)=O)CCCO1
InChIInChI=1S/C9H18N2O2/c1-9(2)7-11(6-8(10)12)4-3-5-13-9/h3-7H2,1-2H3,(H2,10,12)
InChIKeyRZAPCDPMNMQDPS-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

About 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide

2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide (PubChem CID 130684724) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
PubChem CID130684724
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
SMILESCC1(C)CN(CC(N)=O)CCCO1
InChIInChI=1S/C9H18N2O2/c1-9(2)7-11(6-8(10)12)4-3-5-13-9/h3-7H2,1-2H3,(H2,10,12)
InChIKeyRZAPCDPMNMQDPS-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride
CID 44668114
2-(azetidin-1-yl)acetamide
CID 18923030
ethyl 4-(2,2-dimethylmorpholin-4-yl)-3-oxobutanoate
CID 63898681
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
3-(2,2-dimethyl-1,4-oxazepan-4-yl)propanenitrile
CID 131173038
(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine
CID 130652194
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592815
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2,2-dimethyl-4-pent-4-ynyl-1,4-oxazepane
CID 130917747

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide?
The IUPAC name of 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide (CID 130684724) is 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide?
The canonical SMILES for 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide is CC1(C)CN(CC(N)=O)CCCO1.
What is the InChIKey of 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide?
The InChIKey is RZAPCDPMNMQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)7-11(6-8(10)12)4-3-5-13-9/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide?
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide is sourced from PubChem (CID 130684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).