N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide

C18H26N2O4 — CID 59992189

IUPACN-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H26N2O4/c1-12(2)14-9-8-13(3)10-15(14)19-18(21)11-24-17-7-5-4-6-16(17)20(22)23/h4-7,12-15H,8-11H2,1-3H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyICRXWXZJKSMBGK-QLFBSQMISA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds6

About N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide

N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 59992189) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide
PubChem CID59992189
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H26N2O4/c1-12(2)14-9-8-13(3)10-15(14)19-18(21)11-24-17-7-5-4-6-16(17)20(22)23/h4-7,12-15H,8-11H2,1-3H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyICRXWXZJKSMBGK-QLFBSQMISA-N
XLogP3.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
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-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124780220
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-nitroaniline
CID 43719610
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 94609543
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-3-nitrophenyl] acetate
CID 175057673

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide (CID 59992189) is N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is ICRXWXZJKSMBGK-QLFBSQMISA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)14-9-8-13(3)10-15(14)19-18(21)11-24-17-7-5-4-6-16(17)20(22)23/h4-7,12-15H,8-11H2,1-3H3,(H,19,21)/t13-,14+,15-/m1/s1.
What are the key properties of N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide?
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 59992189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).