N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide

C24H20N6O10 — CID 11981942

IUPACN-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
SMILESO=C(COc1ccc(OCC(=O)NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H20N6O10/c31-21(27-23(33)25-15-1-5-17(6-2-15)29(35)36)13-39-19-9-11-20(12-10-19)40-14-22(32)28-24(34)26-16-3-7-18(8-4-16)30(37)38/h1-12H,13-14H2,(H2,25,27,31,33)(H2,26,28,32,34)
InChIKeyJIJOJKZOLNBCBG-UHFFFAOYSA-N
MW552.46 g/mol
LogP2.96
Rot. Bonds10

About N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide

N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide (PubChem CID 11981942) has the molecular formula C24H20N6O10 and a molecular weight of 552.46 g/mol. Its IUPAC name is N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
PubChem CID11981942
Molecular FormulaC24H20N6O10
Molecular Weight552.46 g/mol
Exact Mass552.12
IUPAC NameN-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
SMILESO=C(COc1ccc(OCC(=O)NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H20N6O10/c31-21(27-23(33)25-15-1-5-17(6-2-15)29(35)36)13-39-19-9-11-20(12-10-19)40-14-22(32)28-24(34)26-16-3-7-18(8-4-16)30(37)38/h1-12H,13-14H2,(H2,25,27,31,33)(H2,26,28,32,34)
InChIKeyJIJOJKZOLNBCBG-UHFFFAOYSA-N
XLogP2.96
TPSA221.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.46
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide
CID 7892464
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[(4-iodophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 3351403
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
1-(4-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871035
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide?
The IUPAC name of N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide (CID 11981942) is N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide.
What is the SMILES notation for N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide?
The canonical SMILES for N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide is O=C(COc1ccc(OCC(=O)NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide?
The InChIKey is JIJOJKZOLNBCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O10/c31-21(27-23(33)25-15-1-5-17(6-2-15)29(35)36)13-39-19-9-11-20(12-10-19)40-14-22(32)28-24(34)26-16-3-7-18(8-4-16)30(37)38/h1-12H,13-14H2,(H2,25,27,31,33)(H2,26,28,32,34).
What are the key properties of N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide?
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide has a molecular weight of 552.46 g/mol, XLogP of 2.96, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide is sourced from PubChem (CID 11981942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).