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

C24H30N2O5 — CID 22778466

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)c1
InChIInChI=1S/C24H30N2O5/c1-29-20-10-6-7-18(14-20)24(28)26(19-8-4-3-5-9-19)15-17-11-12-21(22(13-17)30-2)31-16-23(25)27/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H2,25,27)
InChIKeyPDCKJSCUQCZUSG-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.54
Rot. Bonds9

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

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide (PubChem CID 22778466) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
PubChem CID22778466
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)c1
InChIInChI=1S/C24H30N2O5/c1-29-20-10-6-7-18(14-20)24(28)26(19-8-4-3-5-9-19)15-17-11-12-21(22(13-17)30-2)31-16-23(25)27/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H2,25,27)
InChIKeyPDCKJSCUQCZUSG-UHFFFAOYSA-N
XLogP3.54
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
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]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxybenzamide
CID 7123350
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
CID 19630167
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
CID 21171013
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 23096806

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide (CID 22778466) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)c1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide?
The InChIKey is PDCKJSCUQCZUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-20-10-6-7-18(14-20)24(28)26(19-8-4-3-5-9-19)15-17-11-12-21(22(13-17)30-2)31-16-23(25)27/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H2,25,27).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide has a molecular weight of 426.51 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide is sourced from PubChem (CID 22778466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).