4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C20H24N4O4 — CID 24614766

IUPAC4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H24N4O4/c1-13(25)22-16-9-10-18(28-4)17(11-16)23-19(26)12-21-15-7-5-14(6-8-15)20(27)24(2)3/h5-11,21H,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZZBXPLSISIFILK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.41
Rot. Bonds7

About 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 24614766) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID24614766
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H24N4O4/c1-13(25)22-16-9-10-18(28-4)17(11-16)23-19(26)12-21-15-7-5-14(6-8-15)20(27)24(2)3/h5-11,21H,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZZBXPLSISIFILK-UHFFFAOYSA-N
XLogP2.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide
CID 16609082
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27155299
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008895
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 24614766) is 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is COc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZZBXPLSISIFILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13(25)22-16-9-10-18(28-4)17(11-16)23-19(26)12-21-15-7-5-14(6-8-15)20(27)24(2)3/h5-11,21H,12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24614766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).