2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide

C16H30N2O2 — CID 122571339

IUPAC2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide
SMILESCCOCC1(CNC(=O)CN2CCCCCC2)CCC1
InChIInChI=1S/C16H30N2O2/c1-2-20-14-16(8-7-9-16)13-17-15(19)12-18-10-5-3-4-6-11-18/h2-14H2,1H3,(H,17,19)
InChIKeyBBSDPNXYKCUWBP-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.19
Rot. Bonds7

About 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide

2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide (PubChem CID 122571339) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide
PubChem CID122571339
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide
SMILESCCOCC1(CNC(=O)CN2CCCCCC2)CCC1
InChIInChI=1S/C16H30N2O2/c1-2-20-14-16(8-7-9-16)13-17-15(19)12-18-10-5-3-4-6-11-18/h2-14H2,1H3,(H,17,19)
InChIKeyBBSDPNXYKCUWBP-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 122563468
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 131891688
N-[[1-(ethoxymethyl)cyclopentyl]methyl]ethanamine
CID 103984503
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 103984489
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 103984505
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
N-[[1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984495
N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 177375552

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide (CID 122571339) is 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide is CCOCC1(CNC(=O)CN2CCCCCC2)CCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide?
The InChIKey is BBSDPNXYKCUWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-20-14-16(8-7-9-16)13-17-15(19)12-18-10-5-3-4-6-11-18/h2-14H2,1H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide?
2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 122571339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).