2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide

C16H24N2O4 — CID 113174873

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
SMILESCOc1ccc(N(CC(=O)NC(C)(C)C)C(C)=O)cc1OC
InChIInChI=1S/C16H24N2O4/c1-11(19)18(10-15(20)17-16(2,3)4)12-7-8-13(21-5)14(9-12)22-6/h7-9H,10H2,1-6H3,(H,17,20)
InChIKeyVGQNIXDYDDXATB-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.97
Rot. Bonds5

About 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide

2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide (PubChem CID 113174873) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
PubChem CID113174873
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
SMILESCOc1ccc(N(CC(=O)NC(C)(C)C)C(C)=O)cc1OC
InChIInChI=1S/C16H24N2O4/c1-11(19)18(10-15(20)17-16(2,3)4)12-7-8-13(21-5)14(9-12)22-6/h7-9H,10H2,1-6H3,(H,17,20)
InChIKeyVGQNIXDYDDXATB-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
CID 113174936
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide (CID 113174873) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide is COc1ccc(N(CC(=O)NC(C)(C)C)C(C)=O)cc1OC.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide?
The InChIKey is VGQNIXDYDDXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(19)18(10-15(20)17-16(2,3)4)12-7-8-13(21-5)14(9-12)22-6/h7-9H,10H2,1-6H3,(H,17,20).
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide has a molecular weight of 308.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113174873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).