3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide

C15H20N2O4 — CID 107681385

IUPAC3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c18-13-8-4-7-12(17(20)21)15(13)16-14(19)10-9-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2,(H,16,19)
InChIKeyYQBWPKVVPFHUAX-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.60
Rot. Bonds5

About 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide

3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide (PubChem CID 107681385) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
PubChem CID107681385
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c18-13-8-4-7-12(17(20)21)15(13)16-14(19)10-9-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2,(H,16,19)
InChIKeyYQBWPKVVPFHUAX-UHFFFAOYSA-N
XLogP3.60
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107681255
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
CID 3850137
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-amino-N-(2-hydroxy-6-nitrophenyl)cyclohexane-1-carboxamide
CID 107681022
N-(2-hydroxy-6-nitrophenyl)-1,1-dioxothiane-2-carboxamide
CID 107681277

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide (CID 107681385) is 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide is O=C(CCC1CCCCC1)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide?
The InChIKey is YQBWPKVVPFHUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13-8-4-7-12(17(20)21)15(13)16-14(19)10-9-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2,(H,16,19).
What are the key properties of 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide?
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide has a molecular weight of 292.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide is sourced from PubChem (CID 107681385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).