N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C21H21N3O4 — CID 110596436

IUPACN-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCOc1ccccc1NC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C21H21N3O4/c1-4-28-17-8-6-5-7-16(17)23-19-18(20(26)24(3)21(19)27)14-9-11-15(12-10-14)22-13(2)25/h5-12,23H,4H2,1-3H3,(H,22,25)
InChIKeyQNPYTZRGOIKSLH-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.87
Rot. Bonds6

About N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110596436) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110596436
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCOc1ccccc1NC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C21H21N3O4/c1-4-28-17-8-6-5-7-16(17)23-19-18(20(26)24(3)21(19)27)14-9-11-15(12-10-14)22-13(2)25/h5-12,23H,4H2,1-3H3,(H,22,25)
InChIKeyQNPYTZRGOIKSLH-UHFFFAOYSA-N
XLogP2.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-ethoxyanilino)-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596741
3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594520
3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586250
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110587849
N-[4-[1-methyl-2,5-dioxo-4-(3,4,5-trimethoxyanilino)pyrrol-3-yl]phenyl]acetamide
CID 110562716
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586414
3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
CID 110599881
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585973
N-[4-[4-(3-chloro-4-methoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596437
N-[4-[4-(5-chloro-2-methylanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596439
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110596436) is N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CCOc1ccccc1NC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C)C1=O.
What is the InChIKey of N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is QNPYTZRGOIKSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-28-17-8-6-5-7-16(17)23-19-18(20(26)24(3)21(19)27)14-9-11-15(12-10-14)22-13(2)25/h5-12,23H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-ethoxyanilino)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).