N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide

C23H28N2O5 — CID 43011182

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O5/c1-3-25(15-22(26)24-18-6-4-7-20(14-18)28-2)23(27)17-9-11-19(12-10-17)30-16-21-8-5-13-29-21/h4,6-7,9-12,14,21H,3,5,8,13,15-16H2,1-2H3,(H,24,26)
InChIKeyVMSBIFSIIWQXCH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.35
Rot. Bonds9

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43011182) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID43011182
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O5/c1-3-25(15-22(26)24-18-6-4-7-20(14-18)28-2)23(27)17-9-11-19(12-10-17)30-16-21-8-5-13-29-21/h4,6-7,9-12,14,21H,3,5,8,13,15-16H2,1-2H3,(H,24,26)
InChIKeyVMSBIFSIIWQXCH-UHFFFAOYSA-N
XLogP3.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54808947
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518286
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 78800219
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 24818207
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 43011182) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is VMSBIFSIIWQXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-25(15-22(26)24-18-6-4-7-20(14-18)28-2)23(27)17-9-11-19(12-10-17)30-16-21-8-5-13-29-21/h4,6-7,9-12,14,21H,3,5,8,13,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43011182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).