N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide

C21H32N2O4 — CID 19629245

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
SMILESCOc1cc(CN(C(=O)CC(C)C)C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C21H32N2O4/c1-15(2)11-21(25)23(17-7-5-4-6-8-17)13-16-9-10-18(19(12-16)26-3)27-14-20(22)24/h9-10,12,15,17H,4-8,11,13-14H2,1-3H3,(H2,22,24)
InChIKeyKZIZPVBNTWGNCC-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds9

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide (PubChem CID 19629245) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
PubChem CID19629245
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
SMILESCOc1cc(CN(C(=O)CC(C)C)C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C21H32N2O4/c1-15(2)11-21(25)23(17-7-5-4-6-8-17)13-16-9-10-18(19(12-16)26-3)27-14-20(22)24/h9-10,12,15,17H,4-8,11,13-14H2,1-3H3,(H2,22,24)
InChIKeyKZIZPVBNTWGNCC-UHFFFAOYSA-N
XLogP3.27
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-methylpropoxy)benzamide
CID 23096416
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-cyclohexyl-3-methoxybenzamide
CID 22778466
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 23096806
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 3360229
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-cyclohexylcarbamothioyl]-2-(4-chlorophenyl)acetamide
CID 23100452
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-iodobenzamide
CID 21170925

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide (CID 19629245) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide is COc1cc(CN(C(=O)CC(C)C)C2CCCCC2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide?
The InChIKey is KZIZPVBNTWGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15(2)11-21(25)23(17-7-5-4-6-8-17)13-16-9-10-18(19(12-16)26-3)27-14-20(22)24/h9-10,12,15,17H,4-8,11,13-14H2,1-3H3,(H2,22,24).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide has a molecular weight of 376.50 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 19629245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).