N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide

C15H20N4O4 — CID 9464483

IUPACN-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H20N4O4/c20-14(18-15(21)17-11-5-2-1-3-6-11)10-16-12-7-4-8-13(9-12)19(22)23/h4,7-9,11,16H,1-3,5-6,10H2,(H2,17,18,20,21)
InChIKeyFQXFZMSSBIWCFC-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.17
Rot. Bonds5

About N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide

N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide (PubChem CID 9464483) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide
PubChem CID9464483
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H20N4O4/c20-14(18-15(21)17-11-5-2-1-3-6-11)10-16-12-7-4-8-13(9-12)19(22)23/h4,7-9,11,16H,1-3,5-6,10H2,(H2,17,18,20,21)
InChIKeyFQXFZMSSBIWCFC-UHFFFAOYSA-N
XLogP2.17
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide (CID 9464483) is N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide is O=C(CNc1cccc([N+](=O)[O-])c1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide?
The InChIKey is FQXFZMSSBIWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-14(18-15(21)17-11-5-2-1-3-6-11)10-16-12-7-4-8-13(9-12)19(22)23/h4,7-9,11,16H,1-3,5-6,10H2,(H2,17,18,20,21).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide?
N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide is sourced from PubChem (CID 9464483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).