N-(azepan-4-yl)-2-methoxy-2-methylpropanamide

C11H22N2O2 — CID 107172264

IUPACN-(azepan-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC1CCCNCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,15-3)10(14)13-9-5-4-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyITHRQAQYUJOGSH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds3

About N-(azepan-4-yl)-2-methoxy-2-methylpropanamide

N-(azepan-4-yl)-2-methoxy-2-methylpropanamide (PubChem CID 107172264) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-methoxy-2-methylpropanamide
PubChem CID107172264
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(azepan-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC1CCCNCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,15-3)10(14)13-9-5-4-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyITHRQAQYUJOGSH-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-N-(4-oxocyclohexyl)propanamide
CID 103020635
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
N-(azepan-4-yl)but-2-ynamide
CID 107990995
N-cyclohexyl-2-methyl-2-piperidin-3-ylpropanamide
CID 83032368
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
tert-butyl N-[(3S)-azepan-3-yl]carbamate;tert-butyl N-[(3R)-azepan-3-yl]carbamate;tert-butyl N-[(4S)-azepan-4-yl]carbamate;tert-butyl N-[(4R)-azepan-4-yl]carbamate;tert-butyl N-[(3S)-piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;3-methylazetidine
CID 157216314
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-(azepan-4-yl)prop-2-ynamide
CID 107172306
N-(azepan-4-yl)prop-2-enamide
CID 107172224
2-methylbutan-2-yl N-piperidin-4-ylcarbamate
CID 67158317

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(azepan-4-yl)-2-methoxy-2-methylpropanamide (CID 107172264) is N-(azepan-4-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(azepan-4-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(azepan-4-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is ITHRQAQYUJOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,15-3)10(14)13-9-5-4-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(azepan-4-yl)-2-methoxy-2-methylpropanamide?
N-(azepan-4-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 107172264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).