3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide

C10H22N2O3 — CID 115929791

IUPAC3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
SMILESCOCC(NC(COC)C(C)C)C(N)=O
InChIInChI=1S/C10H22N2O3/c1-7(2)8(5-14-3)12-9(6-15-4)10(11)13/h7-9,12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyGBAJNTAYIQDRFY-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.25
Rot. Bonds8

About 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide

3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide (PubChem CID 115929791) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
PubChem CID115929791
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
SMILESCOCC(NC(COC)C(C)C)C(N)=O
InChIInChI=1S/C10H22N2O3/c1-7(2)8(5-14-3)12-9(6-15-4)10(11)13/h7-9,12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyGBAJNTAYIQDRFY-UHFFFAOYSA-N
XLogP-0.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
2-(hex-5-en-2-ylamino)-3-methoxypropanamide
CID 104584141
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804
tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
N,N-diethyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 65049413
3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide
CID 115929776
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
CID 103245081
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide
CID 65049236
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
2-(1-cyclopropylpropylamino)-3-methoxypropanamide
CID 115929773

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide?
The IUPAC name of 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide (CID 115929791) is 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide.
What is the SMILES notation for 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide?
The canonical SMILES for 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide is COCC(NC(COC)C(C)C)C(N)=O.
What is the InChIKey of 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide?
The InChIKey is GBAJNTAYIQDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-7(2)8(5-14-3)12-9(6-15-4)10(11)13/h7-9,12H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide?
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 115929791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).