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

C11H22N2O2 — CID 103797662

IUPAC4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CCCN)C1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-9(10-4-7-15-8-5-10)13-11(14)3-2-6-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyUPJRNFQFTUHWFX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.66
Rot. Bonds5

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

4-amino-N-[1-(oxan-4-yl)ethyl]butanamide (PubChem CID 103797662) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
PubChem CID103797662
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CCCN)C1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-9(10-4-7-15-8-5-10)13-11(14)3-2-6-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyUPJRNFQFTUHWFX-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 114115155
4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
CID 107093451
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
6-amino-N-[(1R)-1-cyclopentylethyl]-4-methylhexanamide
CID 81390503
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide (CID 103797662) is 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide is CC(NC(=O)CCCN)C1CCOCC1.
What is the InChIKey of 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
The InChIKey is UPJRNFQFTUHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(10-4-7-15-8-5-10)13-11(14)3-2-6-12/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 103797662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).