ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide

C11H23NO2 — CID 171523205

IUPACethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
SMILESCC.CCC(=O)NCC1(CO)CCC1
InChIInChI=1S/C9H17NO2.C2H6/c1-2-8(12)10-6-9(7-11)4-3-5-9;1-2/h11H,2-7H2,1H3,(H,10,12);1-2H3
InChIKeyGPNWVWKSENKZJX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds4

About ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide

ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide (PubChem CID 171523205) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide.

Molecular Properties

Compound Nameethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
PubChem CID171523205
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
SMILESCC.CCC(=O)NCC1(CO)CCC1
InChIInChI=1S/C9H17NO2.C2H6/c1-2-8(12)10-6-9(7-11)4-3-5-9;1-2/h11H,2-7H2,1H3,(H,10,12);1-2H3
InChIKeyGPNWVWKSENKZJX-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 131891688
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
CID 115358209
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide?
The IUPAC name of ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide (CID 171523205) is ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide.
What is the SMILES notation for ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide?
The canonical SMILES for ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide is CC.CCC(=O)NCC1(CO)CCC1.
What is the InChIKey of ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide?
The InChIKey is GPNWVWKSENKZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-2-8(12)10-6-9(7-11)4-3-5-9;1-2/h11H,2-7H2,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide?
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide is sourced from PubChem (CID 171523205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).