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

C18H18N2O5 — CID 17460856

IUPACN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O5/c1-11-3-5-14(23-2)13(7-11)20-17(21)9-19-18(22)12-4-6-15-16(8-12)25-10-24-15/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPTTHTOOSXGJVPB-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.10
Rot. Bonds5

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

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 17460856) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID17460856
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O5/c1-11-3-5-14(23-2)13(7-11)20-17(21)9-19-18(22)12-4-6-15-16(8-12)25-10-24-15/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPTTHTOOSXGJVPB-UHFFFAOYSA-N
XLogP2.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109022810
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26499038
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
N-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 771880
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 2245291
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 17460856) is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PTTHTOOSXGJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-3-5-14(23-2)13(7-11)20-17(21)9-19-18(22)12-4-6-15-16(8-12)25-10-24-15/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 17460856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).