2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide

C24H29N3O7 — CID 23096806

IUPAC2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN(C(=O)COc2ccccc2[N+](=O)[O-])C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C24H29N3O7/c1-32-22-13-17(11-12-21(22)33-15-23(25)28)14-26(18-7-3-2-4-8-18)24(29)16-34-20-10-6-5-9-19(20)27(30)31/h5-6,9-13,18H,2-4,7-8,14-16H2,1H3,(H2,25,28)
InChIKeyZSPWRGMVPGDGOP-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.21
Rot. Bonds11

About 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide

2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 23096806) has the molecular formula C24H29N3O7 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
PubChem CID23096806
Molecular FormulaC24H29N3O7
Molecular Weight471.51 g/mol
Exact Mass471.20
IUPAC Name2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN(C(=O)COc2ccccc2[N+](=O)[O-])C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C24H29N3O7/c1-32-22-13-17(11-12-21(22)33-15-23(25)28)14-26(18-7-3-2-4-8-18)24(29)16-34-20-10-6-5-9-19(20)27(30)31/h5-6,9-13,18H,2-4,7-8,14-16H2,1H3,(H2,25,28)
InChIKeyZSPWRGMVPGDGOP-UHFFFAOYSA-N
XLogP3.21
TPSA134.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
CID 19630167
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-2-(2-nitrophenoxy)acetamide
CID 17417729
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-iodobenzamide
CID 21170925
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
CID 21171013
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-(4-chlorophenyl)acetamide
CID 23100452

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide (CID 23096806) is 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide is COc1cc(CN(C(=O)COc2ccccc2[N+](=O)[O-])C2CCCCC2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is ZSPWRGMVPGDGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7/c1-32-22-13-17(11-12-21(22)33-15-23(25)28)14-26(18-7-3-2-4-8-18)24(29)16-34-20-10-6-5-9-19(20)27(30)31/h5-6,9-13,18H,2-4,7-8,14-16H2,1H3,(H2,25,28).
What are the key properties of 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 471.51 g/mol, XLogP of 3.21, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 23096806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).