3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine

C26H40N2O4 — CID 143623051

IUPAC3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine
SMILESCCCCN(CC)CCc1ccc(OC)c(C)c1C.COc1cc(OC)cc(C(N)=O)c1
InChIInChI=1S/C17H29NO.C9H11NO3/c1-6-8-12-18(7-2)13-11-16-9-10-17(19-5)15(4)14(16)3;1-12-7-3-6(9(10)11)4-8(5-7)13-2/h9-10H,6-8,11-13H2,1-5H3;3-5H,1-2H3,(H2,10,11)
InChIKeyJKIKRSVDLDYYNH-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.78
Rot. Bonds11

About 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine

3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine (PubChem CID 143623051) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine
PubChem CID143623051
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC Name3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine
SMILESCCCCN(CC)CCc1ccc(OC)c(C)c1C.COc1cc(OC)cc(C(N)=O)c1
InChIInChI=1S/C17H29NO.C9H11NO3/c1-6-8-12-18(7-2)13-11-16-9-10-17(19-5)15(4)14(16)3;1-12-7-3-6(9(10)11)4-8(5-7)13-2/h9-10H,6-8,11-13H2,1-5H3;3-5H,1-2H3,(H2,10,11)
InChIKeyJKIKRSVDLDYYNH-UHFFFAOYSA-N
XLogP4.78
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 110769670
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide
CID 21468793
4-methoxy-3-pentoxybenzamide
CID 82041442
4-butoxy-3-methoxybenzamide
CID 47102628
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide
CID 68776684

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine?
The IUPAC name of 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine (CID 143623051) is 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine?
The canonical SMILES for 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine is CCCCN(CC)CCc1ccc(OC)c(C)c1C.COc1cc(OC)cc(C(N)=O)c1.
What is the InChIKey of 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine?
The InChIKey is JKIKRSVDLDYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.C9H11NO3/c1-6-8-12-18(7-2)13-11-16-9-10-17(19-5)15(4)14(16)3;1-12-7-3-6(9(10)11)4-8(5-7)13-2/h9-10H,6-8,11-13H2,1-5H3;3-5H,1-2H3,(H2,10,11).
What are the key properties of 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine?
3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine has a molecular weight of 444.62 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxybenzamide;N-ethyl-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 143623051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).