2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide

C16H23N3O3 — CID 3127707

IUPAC2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)NC1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-11-10-14(19(21)22)8-9-15(11)18-16(20)12(2)17-13-6-4-3-5-7-13/h8-10,12-13,17H,3-7H2,1-2H3,(H,18,20)
InChIKeyWUMQYGOAUJSSIV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.15
Rot. Bonds5

About 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide

2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide (PubChem CID 3127707) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide
PubChem CID3127707
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)NC1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-11-10-14(19(21)22)8-9-15(11)18-16(20)12(2)17-13-6-4-3-5-7-13/h8-10,12-13,17H,3-7H2,1-2H3,(H,18,20)
InChIKeyWUMQYGOAUJSSIV-UHFFFAOYSA-N
XLogP3.15
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide (CID 3127707) is 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide?
The InChIKey is WUMQYGOAUJSSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-10-14(19(21)22)8-9-15(11)18-16(20)12(2)17-13-6-4-3-5-7-13/h8-10,12-13,17H,3-7H2,1-2H3,(H,18,20).
What are the key properties of 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide?
2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2-methyl-4-nitrophenyl)propanamide is sourced from PubChem (CID 3127707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).