N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide

C17H27NO3 — CID 71107072

IUPACN-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1OC)C(C)CC
InChIInChI=1S/C17H27NO3/c1-6-8-17(19)18(13(3)7-2)12-14-9-10-15(20-4)11-16(14)21-5/h9-11,13H,6-8,12H2,1-5H3
InChIKeyXOCIHERKZSLYEQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.63
Rot. Bonds8

About N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide

N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide (PubChem CID 71107072) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide
PubChem CID71107072
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1OC)C(C)CC
InChIInChI=1S/C17H27NO3/c1-6-8-17(19)18(13(3)7-2)12-14-9-10-15(20-4)11-16(14)21-5/h9-11,13H,6-8,12H2,1-5H3
InChIKeyXOCIHERKZSLYEQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate
CID 64669981
[4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate
CID 7419070
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
N-benzyl-N-butan-2-ylbutanamide
CID 60717440

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide?
The IUPAC name of N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide (CID 71107072) is N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide?
The canonical SMILES for N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide is CCCC(=O)N(Cc1ccc(OC)cc1OC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide?
The InChIKey is XOCIHERKZSLYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-8-17(19)18(13(3)7-2)12-14-9-10-15(20-4)11-16(14)21-5/h9-11,13H,6-8,12H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide?
N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide has a molecular weight of 293.41 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 71107072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).