N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide

C19H30N2O4 — CID 113056311

IUPACN-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(Cc1ccc(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C19H30N2O4/c1-6-16(7-2)19(23)20-10-11-21(14(3)22)13-15-8-9-17(24-4)18(12-15)25-5/h8-9,12,16H,6-7,10-11,13H2,1-5H3,(H,20,23)
InChIKeyHXYASZBNWQBEHH-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.60
Rot. Bonds10

About N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide

N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide (PubChem CID 113056311) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
PubChem CID113056311
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(Cc1ccc(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C19H30N2O4/c1-6-16(7-2)19(23)20-10-11-21(14(3)22)13-15-8-9-17(24-4)18(12-15)25-5/h8-9,12,16H,6-7,10-11,13H2,1-5H3,(H,20,23)
InChIKeyHXYASZBNWQBEHH-UHFFFAOYSA-N
XLogP2.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 113165592
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
CID 165352389
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113056230
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide (CID 113056311) is N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(Cc1ccc(OC)c(OC)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
The InChIKey is HXYASZBNWQBEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-16(7-2)19(23)20-10-11-21(14(3)22)13-15-8-9-17(24-4)18(12-15)25-5/h8-9,12,16H,6-7,10-11,13H2,1-5H3,(H,20,23).
What are the key properties of N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide has a molecular weight of 350.46 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113056311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).