N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide

C22H25N3O4 — CID 53135680

IUPACN-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CN3CCN(CC)C(=O)C3=O)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-3-24-13-14-25(22(28)21(24)27)15-16-5-7-17(8-6-16)20(26)23-18-9-11-19(12-10-18)29-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeySRDGPGPWYCRKLL-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.53
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide

N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide (PubChem CID 53135680) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
PubChem CID53135680
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CN3CCN(CC)C(=O)C3=O)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-3-24-13-14-25(22(28)21(24)27)15-16-5-7-17(8-6-16)20(26)23-18-9-11-19(12-10-18)29-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeySRDGPGPWYCRKLL-UHFFFAOYSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzoate
CID 28942654
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
CID 53135720
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
(2R)-N-(4-ethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056412
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide (CID 53135680) is N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide is CCOc1ccc(NC(=O)c2ccc(CN3CCN(CC)C(=O)C3=O)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide?
The InChIKey is SRDGPGPWYCRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-24-13-14-25(22(28)21(24)27)15-16-5-7-17(8-6-16)20(26)23-18-9-11-19(12-10-18)29-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide?
N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 53135680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).