N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C19H20N2O4 — CID 113002162

IUPACN-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccc(C)c1
InChIInChI=1S/C19H20N2O4/c1-3-21(15-6-4-5-13(2)9-15)18(22)11-20-19(23)14-7-8-16-17(10-14)25-12-24-16/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyJTJKYLKDNRPODK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113002162) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113002162
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccc(C)c1
InChIInChI=1S/C19H20N2O4/c1-3-21(15-6-4-5-13(2)9-15)18(22)11-20-19(23)14-7-8-16-17(10-14)25-12-24-16/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyJTJKYLKDNRPODK-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide
CID 113002146
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
CID 110344639
1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 113198989
2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]-methylamino]acetic acid
CID 120513618
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883533
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 113002162) is N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JTJKYLKDNRPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-21(15-6-4-5-13(2)9-15)18(22)11-20-19(23)14-7-8-16-17(10-14)25-12-24-16/h4-10H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113002162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).