N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide

C20H22N4O5 — CID 108513047

IUPACN-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C20H22N4O5/c1-14-4-3-5-15(12-14)22-8-10-23(11-9-22)20(26)19(25)21-17-7-6-16(24(27)28)13-18(17)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)
InChIKeyZXQMQRIRXUNFFC-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.20
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide

N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108513047) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108513047
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C20H22N4O5/c1-14-4-3-5-15(12-14)22-8-10-23(11-9-22)20(26)19(25)21-17-7-6-16(24(27)28)13-18(17)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)
InChIKeyZXQMQRIRXUNFFC-UHFFFAOYSA-N
XLogP2.20
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 2956761
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
N-(2-methoxy-4-nitrophenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 19654554
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
CID 108529398
N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2958014

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108513047) is N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is ZXQMQRIRXUNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-14-4-3-5-15(12-14)22-8-10-23(11-9-22)20(26)19(25)21-17-7-6-16(24(27)28)13-18(17)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 398.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108513047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).