3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide

C19H30N2O4 — CID 113130237

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H30N2O4/c1-6-11-20(12-7-2)19(23)10-13-21(15(3)22)16-8-9-17(24-4)18(14-16)25-5/h8-9,14H,6-7,10-13H2,1-5H3
InChIKeyCMKKBUBEPSITLD-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.10
Rot. Bonds10

About 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide (PubChem CID 113130237) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
PubChem CID113130237
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H30N2O4/c1-6-11-20(12-7-2)19(23)10-13-21(15(3)22)16-8-9-17(24-4)18(14-16)25-5/h8-9,14H,6-7,10-13H2,1-5H3
InChIKeyCMKKBUBEPSITLD-UHFFFAOYSA-N
XLogP3.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
CID 113128684
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113130223
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113130255

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide (CID 113130237) is 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(C(C)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide?
The InChIKey is CMKKBUBEPSITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-11-20(12-7-2)19(23)10-13-21(15(3)22)16-8-9-17(24-4)18(14-16)25-5/h8-9,14H,6-7,10-13H2,1-5H3.
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113130237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).