2-(3-methoxybutan-2-ylamino)-N-methylacetamide

C8H18N2O2 — CID 115706830

IUPAC2-(3-methoxybutan-2-ylamino)-N-methylacetamide
SMILESCNC(=O)CNC(C)C(C)OC
InChIInChI=1S/C8H18N2O2/c1-6(7(2)12-4)10-5-8(11)9-3/h6-7,10H,5H2,1-4H3,(H,9,11)
InChIKeyKMVNDIWKATYRCW-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.25
Rot. Bonds5

About 2-(3-methoxybutan-2-ylamino)-N-methylacetamide

2-(3-methoxybutan-2-ylamino)-N-methylacetamide (PubChem CID 115706830) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(3-methoxybutan-2-ylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-methoxybutan-2-ylamino)-N-methylacetamide
PubChem CID115706830
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(3-methoxybutan-2-ylamino)-N-methylacetamide
SMILESCNC(=O)CNC(C)C(C)OC
InChIInChI=1S/C8H18N2O2/c1-6(7(2)12-4)10-5-8(11)9-3/h6-7,10H,5H2,1-4H3,(H,9,11)
InChIKeyKMVNDIWKATYRCW-UHFFFAOYSA-N
XLogP-0.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
2-[(1-methoxy-4-methylpentan-3-yl)amino]-N-methylacetamide
CID 115706789
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
CID 115718655
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
N-methyl-2-(methylamino)acetamide
CID 2463138
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybutan-2-ylamino)-N-methylacetamide?
The IUPAC name of 2-(3-methoxybutan-2-ylamino)-N-methylacetamide (CID 115706830) is 2-(3-methoxybutan-2-ylamino)-N-methylacetamide.
What is the SMILES notation for 2-(3-methoxybutan-2-ylamino)-N-methylacetamide?
The canonical SMILES for 2-(3-methoxybutan-2-ylamino)-N-methylacetamide is CNC(=O)CNC(C)C(C)OC.
What is the InChIKey of 2-(3-methoxybutan-2-ylamino)-N-methylacetamide?
The InChIKey is KMVNDIWKATYRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(7(2)12-4)10-5-8(11)9-3/h6-7,10H,5H2,1-4H3,(H,9,11).
What are the key properties of 2-(3-methoxybutan-2-ylamino)-N-methylacetamide?
2-(3-methoxybutan-2-ylamino)-N-methylacetamide has a molecular weight of 174.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutan-2-ylamino)-N-methylacetamide is sourced from PubChem (CID 115706830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).