N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide

C23H22N2O4 — CID 112983594

IUPACN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-27-20-4-2-3-16(13-20)11-12-24-18-6-8-19(9-7-18)25-23(26)17-5-10-21-22(14-17)29-15-28-21/h2-10,13-14,24H,11-12,15H2,1H3,(H,25,26)
InChIKeyLCWNQFVNEYICPC-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 112983594) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID112983594
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-27-20-4-2-3-16(13-20)11-12-24-18-6-8-19(9-7-18)25-23(26)17-5-10-21-22(14-17)29-15-28-21/h2-10,13-14,24H,11-12,15H2,1H3,(H,25,26)
InChIKeyLCWNQFVNEYICPC-UHFFFAOYSA-N
XLogP4.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 95172560
6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
CID 112984117
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 112983594) is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide is COc1cccc(CCNc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LCWNQFVNEYICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-20-4-2-3-16(13-20)11-12-24-18-6-8-19(9-7-18)25-23(26)17-5-10-21-22(14-17)29-15-28-21/h2-10,13-14,24H,11-12,15H2,1H3,(H,25,26).
What are the key properties of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 112983594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).