2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide

C12H20N2O3 — CID 62477479

IUPAC2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C12H20N2O3/c1-9-10(4-7-17-9)8-14(2)12(15)11(13)5-6-16-3/h4,7,11H,5-6,8,13H2,1-3H3
InChIKeyOQMYBCIHJOTKCU-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide

2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide (PubChem CID 62477479) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
PubChem CID62477479
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C12H20N2O3/c1-9-10(4-7-17-9)8-14(2)12(15)11(13)5-6-16-3/h4,7,11H,5-6,8,13H2,1-3H3
InChIKeyOQMYBCIHJOTKCU-UHFFFAOYSA-N
XLogP0.91
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 62729105
2-amino-4-methoxy-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide
CID 62473759
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877910
(E)-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 82238971
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107024425
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxy-N-methylpentanamide
CID 81083116

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide (CID 62477479) is 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide is COCCC(N)C(=O)N(C)Cc1ccoc1C.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
The InChIKey is OQMYBCIHJOTKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-10(4-7-17-9)8-14(2)12(15)11(13)5-6-16-3/h4,7,11H,5-6,8,13H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide has a molecular weight of 240.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide is sourced from PubChem (CID 62477479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).