2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide

C20H22N4O4 — CID 113175847

IUPAC2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H22N4O4/c1-13(25)21-16-7-9-17(10-8-16)23-20(28)12-24(15(3)27)19-6-4-5-18(11-19)22-14(2)26/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyMCSKBSANPVMFDN-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.60
Rot. Bonds6

About 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide

2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide (PubChem CID 113175847) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
PubChem CID113175847
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H22N4O4/c1-13(25)21-16-7-9-17(10-8-16)23-20(28)12-24(15(3)27)19-6-4-5-18(11-19)22-14(2)26/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyMCSKBSANPVMFDN-UHFFFAOYSA-N
XLogP2.60
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide (CID 113175847) is 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide is CC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide?
The InChIKey is MCSKBSANPVMFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13(25)21-16-7-9-17(10-8-16)23-20(28)12-24(15(3)27)19-6-4-5-18(11-19)22-14(2)26/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,28).
What are the key properties of 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide?
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide is sourced from PubChem (CID 113175847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).