N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide

C31H30N2O3 — CID 102087001

IUPACN-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide
SMILESCCN(C(=O)COc1ccccc1-c1ccccc1C(=O)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O3/c1-3-32(24-15-7-5-8-16-24)30(34)23-36-29-22-14-13-20-27(29)26-19-11-12-21-28(26)31(35)33(4-2)25-17-9-6-10-18-25/h5-22H,3-4,23H2,1-2H3
InChIKeyPZJOKMIKPMGXNE-UHFFFAOYSA-N
MW478.59 g/mol
LogP6.45
Rot. Bonds9

About N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide

N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide (PubChem CID 102087001) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide
PubChem CID102087001
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide
SMILESCCN(C(=O)COc1ccccc1-c1ccccc1C(=O)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O3/c1-3-32(24-15-7-5-8-16-24)30(34)23-36-29-22-14-13-20-27(29)26-19-11-12-21-28(26)31(35)33(4-2)25-17-9-6-10-18-25/h5-22H,3-4,23H2,1-2H3
InChIKeyPZJOKMIKPMGXNE-UHFFFAOYSA-N
XLogP6.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide
CID 22217279
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122934
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-phenylacetamide
CID 8551594
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide?
The IUPAC name of N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide (CID 102087001) is N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide is CCN(C(=O)COc1ccccc1-c1ccccc1C(=O)N(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide?
The InChIKey is PZJOKMIKPMGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-3-32(24-15-7-5-8-16-24)30(34)23-36-29-22-14-13-20-27(29)26-19-11-12-21-28(26)31(35)33(4-2)25-17-9-6-10-18-25/h5-22H,3-4,23H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide?
N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide has a molecular weight of 478.59 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide is sourced from PubChem (CID 102087001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).