3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide

C16H22N2O4 — CID 2923732

IUPAC3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H22N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,17,19)
InChIKeyJHRIHGBPTZTHOZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.90
Rot. Bonds6

About 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide

3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide (PubChem CID 2923732) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide
PubChem CID2923732
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H22N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,17,19)
InChIKeyJHRIHGBPTZTHOZ-UHFFFAOYSA-N
XLogP3.90
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
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 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide (CID 2923732) is 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide is COc1ccc(NC(=O)CCC2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide?
The InChIKey is JHRIHGBPTZTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide?
3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-methoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 2923732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).