N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

C20H25N3O3 — CID 31760902

IUPACN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)19(25)23-16-7-5-6-15(12-16)21-13-18(24)22-14-8-10-17(26-4)11-9-14/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWPZUPWUPWMDZPW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds6

About N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 31760902) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID31760902
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)19(25)23-16-7-5-6-15(12-16)21-13-18(24)22-14-8-10-17(26-4)11-9-14/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWPZUPWUPWMDZPW-UHFFFAOYSA-N
XLogP3.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (CID 31760902) is N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is COc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is WPZUPWUPWMDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)19(25)23-16-7-5-6-15(12-16)21-13-18(24)22-14-8-10-17(26-4)11-9-14/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 31760902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).