2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide

C11H22N2O3 — CID 62473603

IUPAC2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCC1CCCOC1
InChIInChI=1S/C11H22N2O3/c1-15-6-4-10(12)11(14)13-7-9-3-2-5-16-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyKGKGJYPKXWFHDJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.11
Rot. Bonds6

About 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide

2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide (PubChem CID 62473603) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
PubChem CID62473603
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCC1CCCOC1
InChIInChI=1S/C11H22N2O3/c1-15-6-4-10(12)11(14)13-7-9-3-2-5-16-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyKGKGJYPKXWFHDJ-UHFFFAOYSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
CID 81085795
2-amino-4-methoxy-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107418374
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
CID 114267337
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide (CID 62473603) is 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide is COCCC(N)C(=O)NCC1CCCOC1.
What is the InChIKey of 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide?
The InChIKey is KGKGJYPKXWFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-6-4-10(12)11(14)13-7-9-3-2-5-16-8-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide?
2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide has a molecular weight of 230.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide is sourced from PubChem (CID 62473603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).