4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide

C12H24N2O3 — CID 107093451

IUPAC4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCOC(CN)CC(=O)NC(C)C1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-9(10-3-5-17-6-4-10)14-12(15)7-11(8-13)16-2/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyWWTNFYKYWSOVSQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds6

About 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide

4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide (PubChem CID 107093451) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
PubChem CID107093451
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCOC(CN)CC(=O)NC(C)C1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-9(10-3-5-17-6-4-10)14-12(15)7-11(8-13)16-2/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyWWTNFYKYWSOVSQ-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
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-3-methoxy-N-(oxolan-3-ylmethyl)butanamide
CID 103154885
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide (CID 107093451) is 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide is COC(CN)CC(=O)NC(C)C1CCOCC1.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide?
The InChIKey is WWTNFYKYWSOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(10-3-5-17-6-4-10)14-12(15)7-11(8-13)16-2/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide?
4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 107093451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).