N-[1-(oxan-4-yl)ethyl]butanamide

C11H21NO2 — CID 103769211

IUPACN-[1-(oxan-4-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-11(13)12-9(2)10-5-7-14-8-6-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyWAGIJMPHYUZIIF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About N-[1-(oxan-4-yl)ethyl]butanamide

N-[1-(oxan-4-yl)ethyl]butanamide (PubChem CID 103769211) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]butanamide
PubChem CID103769211
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[1-(oxan-4-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-11(13)12-9(2)10-5-7-14-8-6-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyWAGIJMPHYUZIIF-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 114115155
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
CID 107093451
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]butanamide (CID 103769211) is N-[1-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]butanamide is CCCC(=O)NC(C)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]butanamide?
The InChIKey is WAGIJMPHYUZIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-11(13)12-9(2)10-5-7-14-8-6-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[1-(oxan-4-yl)ethyl]butanamide?
N-[1-(oxan-4-yl)ethyl]butanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 103769211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).