N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide

C22H24N4O6 — CID 4931286

IUPACN-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H24N4O6/c27-20(14-32-19-9-5-4-8-18(19)26(30)31)24-25-22(29)16-10-12-17(13-11-16)23-21(28)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,28)(H,24,27)(H,25,29)
InChIKeyZITFNVPZEYGHEE-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.95
Rot. Bonds7

About N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide

N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide (PubChem CID 4931286) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
PubChem CID4931286
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC NameN-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H24N4O6/c27-20(14-32-19-9-5-4-8-18(19)26(30)31)24-25-22(29)16-10-12-17(13-11-16)23-21(28)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,28)(H,24,27)(H,25,29)
InChIKeyZITFNVPZEYGHEE-UHFFFAOYSA-N
XLogP2.95
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide 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

4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-nitrobenzamide
CID 3484479
N-[4-[[[2-(2-methoxyphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4506581
N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3495457
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17350317
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508209
N-[4-[[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3342780

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide (CID 4931286) is N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide is O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is ZITFNVPZEYGHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c27-20(14-32-19-9-5-4-8-18(19)26(30)31)24-25-22(29)16-10-12-17(13-11-16)23-21(28)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 440.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 4931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).