N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide

C23H27ClN2O4 — CID 22779364

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
SMILESCOc1cc(CN(C(=O)c2ccccc2Cl)C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C23H27ClN2O4/c1-29-21-13-16(11-12-20(21)30-15-22(25)27)14-26(17-7-3-2-4-8-17)23(28)18-9-5-6-10-19(18)24/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H2,25,27)
InChIKeyMIDQYEYHEJDDDZ-UHFFFAOYSA-N
MW430.93 g/mol
LogP4.19
Rot. Bonds8

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide (PubChem CID 22779364) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
PubChem CID22779364
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
SMILESCOc1cc(CN(C(=O)c2ccccc2Cl)C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C23H27ClN2O4/c1-29-21-13-16(11-12-20(21)30-15-22(25)27)14-26(17-7-3-2-4-8-17)23(28)18-9-5-6-10-19(18)24/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H2,25,27)
InChIKeyMIDQYEYHEJDDDZ-UHFFFAOYSA-N
XLogP4.19
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide (CID 22779364) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide is COc1cc(CN(C(=O)c2ccccc2Cl)C2CCCCC2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide?
The InChIKey is MIDQYEYHEJDDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-29-21-13-16(11-12-20(21)30-15-22(25)27)14-26(17-7-3-2-4-8-17)23(28)18-9-5-6-10-19(18)24/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H2,25,27).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide has a molecular weight of 430.93 g/mol, XLogP of 4.19, 8 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]-2-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 22779364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).