N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide

C17H26N2O4 — CID 113061222

IUPACN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
SMILESCOc1ccc(N(CCNC(=O)CC(C)C)C(C)=O)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-12(2)10-17(21)18-8-9-19(13(3)20)15-7-6-14(22-4)11-16(15)23-5/h6-7,11-12H,8-10H2,1-5H3,(H,18,21)
InChIKeyLIRBUGXVRKARCY-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide (PubChem CID 113061222) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
PubChem CID113061222
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
SMILESCOc1ccc(N(CCNC(=O)CC(C)C)C(C)=O)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-12(2)10-17(21)18-8-9-19(13(3)20)15-7-6-14(22-4)11-16(15)23-5/h6-7,11-12H,8-10H2,1-5H3,(H,18,21)
InChIKeyLIRBUGXVRKARCY-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113061258
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(benzenesulfonamido)ethyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 113061278
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide (CID 113061222) is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide is COc1ccc(N(CCNC(=O)CC(C)C)C(C)=O)c(OC)c1.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide?
The InChIKey is LIRBUGXVRKARCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)10-17(21)18-8-9-19(13(3)20)15-7-6-14(22-4)11-16(15)23-5/h6-7,11-12H,8-10H2,1-5H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide?
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide has a molecular weight of 322.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113061222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).