N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide

C23H25N3O3 — CID 110562626

IUPACN-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
SMILESCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O3/c1-4-14-26-22(28)20(18-10-12-19(13-11-18)24-16(2)27)21(23(26)29)25(3)15-17-8-6-5-7-9-17/h5-13H,4,14-15H2,1-3H3,(H,24,27)
InChIKeyACUZMSQTMSZTRI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.27
Rot. Bonds7

About N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide

N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide (PubChem CID 110562626) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
PubChem CID110562626
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
SMILESCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O3/c1-4-14-26-22(28)20(18-10-12-19(13-11-18)24-16(2)27)21(23(26)29)25(3)15-17-8-6-5-7-9-17/h5-13H,4,14-15H2,1-3H3,(H,24,27)
InChIKeyACUZMSQTMSZTRI-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-benzyl-4-[benzyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562529
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
CID 110569609
N-[4-[4-[benzyl(methyl)amino]-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563550
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543211
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110569648
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
N-[4-(4-ethylsulfanyl-2,5-dioxo-1-propylpyrrol-3-yl)phenyl]acetamide
CID 110562641
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
CID 110569241
N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562877
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110548902
3-[benzyl(methyl)amino]-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574907
N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110583553

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide (CID 110562626) is N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide is CCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)Cc2ccccc2)C1=O.
What is the InChIKey of N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
The InChIKey is ACUZMSQTMSZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-14-26-22(28)20(18-10-12-19(13-11-18)24-16(2)27)21(23(26)29)25(3)15-17-8-6-5-7-9-17/h5-13H,4,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).