2-(3-methoxyanilino)-N',N'-dimethylbutanediamide

C13H19N3O3 — CID 66430043

IUPAC2-(3-methoxyanilino)-N',N'-dimethylbutanediamide
SMILESCOc1cccc(NC(CC(=O)N(C)C)C(N)=O)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)12(17)8-11(13(14)18)15-9-5-4-6-10(7-9)19-3/h4-7,11,15H,8H2,1-3H3,(H2,14,18)
InChIKeyIKVOGBVPVFCSGJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.44
Rot. Bonds6

About 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide

2-(3-methoxyanilino)-N',N'-dimethylbutanediamide (PubChem CID 66430043) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N',N'-dimethylbutanediamide
PubChem CID66430043
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3-methoxyanilino)-N',N'-dimethylbutanediamide
SMILESCOc1cccc(NC(CC(=O)N(C)C)C(N)=O)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)12(17)8-11(13(14)18)15-9-5-4-6-10(7-9)19-3/h4-7,11,15H,8H2,1-3H3,(H2,14,18)
InChIKeyIKVOGBVPVFCSGJ-UHFFFAOYSA-N
XLogP0.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-2-(3-methoxyanilino)butanediamide
CID 66429794
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
2-(4-ethylphenyl)-2-(3-methoxyanilino)acetamide
CID 61005414
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
ethyl 2-(3-methoxyanilino)-3-methylbut-3-enoate
CID 114784559
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 63223281
2-(4-methoxyanilino)butanamide
CID 61005469
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
CID 66431284
N-hydroxy-2-(3-methoxyanilino)hexanamide
CID 87720866

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide?
The IUPAC name of 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide (CID 66430043) is 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide?
The canonical SMILES for 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide is COc1cccc(NC(CC(=O)N(C)C)C(N)=O)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide?
The InChIKey is IKVOGBVPVFCSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)12(17)8-11(13(14)18)15-9-5-4-6-10(7-9)19-3/h4-7,11,15H,8H2,1-3H3,(H2,14,18).
What are the key properties of 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide?
2-(3-methoxyanilino)-N',N'-dimethylbutanediamide has a molecular weight of 265.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N',N'-dimethylbutanediamide is sourced from PubChem (CID 66430043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).