N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

C21H27N3O4 — CID 31761319

IUPACN-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1
InChIInChI=1S/C21H27N3O4/c1-21(2,3)20(26)24-15-8-6-7-14(9-15)22-13-19(25)23-16-10-17(27-4)12-18(11-16)28-5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyGISJYNFLGVBKHQ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.74
Rot. Bonds7

About N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 31761319) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID31761319
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1
InChIInChI=1S/C21H27N3O4/c1-21(2,3)20(26)24-15-8-6-7-14(9-15)22-13-19(25)23-16-10-17(27-4)12-18(11-16)28-5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyGISJYNFLGVBKHQ-UHFFFAOYSA-N
XLogP3.74
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
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-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (CID 31761319) is N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is COc1cc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1.
What is the InChIKey of N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GISJYNFLGVBKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-21(2,3)20(26)24-15-8-6-7-14(9-15)22-13-19(25)23-16-10-17(27-4)12-18(11-16)28-5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 385.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 31761319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).