N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide

C15H20N2O4 — CID 62521825

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1(CO)CCCCC1
InChIInChI=1S/C15H20N2O4/c18-11-15(8-4-1-5-9-15)16-14(19)10-12-6-2-3-7-13(12)17(20)21/h2-3,6-7,18H,1,4-5,8-11H2,(H,16,19)
InChIKeyRUAOXPZHEWXARC-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.95
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide

N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide (PubChem CID 62521825) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
PubChem CID62521825
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1(CO)CCCCC1
InChIInChI=1S/C15H20N2O4/c18-11-15(8-4-1-5-9-15)16-14(19)10-12-6-2-3-7-13(12)17(20)21/h2-3,6-7,18H,1,4-5,8-11H2,(H,16,19)
InChIKeyRUAOXPZHEWXARC-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide
CID 115764632
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
1-[[2-(2-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158336
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6-nitrobenzoic acid
CID 103249236
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
N-(1-adamantyl)-2-(2-nitrophenyl)acetamide
CID 27650254
2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-6-nitrobenzoic acid
CID 103268098
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
CID 63658968
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522014
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
1-[2-(2-nitrophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 65194906

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide (CID 62521825) is N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is RUAOXPZHEWXARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-11-15(8-4-1-5-9-15)16-14(19)10-12-6-2-3-7-13(12)17(20)21/h2-3,6-7,18H,1,4-5,8-11H2,(H,16,19).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 62521825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).