3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide

C16H24N2O4 — CID 113130179

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(N(CCC(=O)NC(C)C)C(C)=O)cc1OC
InChIInChI=1S/C16H24N2O4/c1-11(2)17-16(20)8-9-18(12(3)19)13-6-7-14(21-4)15(10-13)22-5/h6-7,10-11H,8-9H2,1-5H3,(H,17,20)
InChIKeyUADZIFBLFGOWOR-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.97
Rot. Bonds7

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide (PubChem CID 113130179) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
PubChem CID113130179
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(N(CCC(=O)NC(C)C)C(C)=O)cc1OC
InChIInChI=1S/C16H24N2O4/c1-11(2)17-16(20)8-9-18(12(3)19)13-6-7-14(21-4)15(10-13)22-5/h6-7,10-11H,8-9H2,1-5H3,(H,17,20)
InChIKeyUADZIFBLFGOWOR-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
CID 113124461
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
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113130194
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-propan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide (CID 113130179) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide is COc1ccc(N(CCC(=O)NC(C)C)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide?
The InChIKey is UADZIFBLFGOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)17-16(20)8-9-18(12(3)19)13-6-7-14(21-4)15(10-13)22-5/h6-7,10-11H,8-9H2,1-5H3,(H,17,20).
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113130179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).