4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide

C10H22N2O3 — CID 103155184

IUPAC4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
SMILESCOCC(C)N(C)C(=O)CC(CN)OC
InChIInChI=1S/C10H22N2O3/c1-8(7-14-3)12(2)10(13)5-9(6-11)15-4/h8-9H,5-7,11H2,1-4H3
InChIKeyHUOGRASSAUHXKY-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.16
Rot. Bonds7

About 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide

4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide (PubChem CID 103155184) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
PubChem CID103155184
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
SMILESCOCC(C)N(C)C(=O)CC(CN)OC
InChIInChI=1S/C10H22N2O3/c1-8(7-14-3)12(2)10(13)5-9(6-11)15-4/h8-9H,5-7,11H2,1-4H3
InChIKeyHUOGRASSAUHXKY-UHFFFAOYSA-N
XLogP-0.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide (CID 103155184) is 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide is COCC(C)N(C)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide?
The InChIKey is HUOGRASSAUHXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(7-14-3)12(2)10(13)5-9(6-11)15-4/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide?
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide is sourced from PubChem (CID 103155184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).