N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide

C16H22N2O4 — CID 8561598

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H22N2O4/c1-11-7-8-15(14(9-11)18(20)21)22-10-16(19)17-13-6-4-3-5-12(13)2/h7-9,12-13H,3-6,10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyIGHRADSXXQYNGS-STQMWFEESA-N
MW306.36 g/mol
LogP2.98
Rot. Bonds5

About N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 8561598) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID8561598
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H22N2O4/c1-11-7-8-15(14(9-11)18(20)21)22-10-16(19)17-13-6-4-3-5-12(13)2/h7-9,12-13H,3-6,10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyIGHRADSXXQYNGS-STQMWFEESA-N
XLogP2.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.98
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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Related Compounds

2-(4-chloro-2-nitrophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11920384
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9388576
2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7865889
2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 25436323
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8013496
N-(2,3-dimethylcyclohexyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3518682
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-(3,5-dimethylphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2712787

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 8561598) is N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is IGHRADSXXQYNGS-STQMWFEESA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-7-8-15(14(9-11)18(20)21)22-10-16(19)17-13-6-4-3-5-12(13)2/h7-9,12-13H,3-6,10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 306.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8561598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).