N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide

C19H22N2O6 — CID 51167835

IUPACN-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C19H22N2O6/c1-11(19(22)21-12-5-6-14-15(7-12)27-10-26-14)20-13-8-16(23-2)18(25-4)17(9-13)24-3/h5-9,11,20H,10H2,1-4H3,(H,21,22)
InChIKeyPVJBMMDGPWMEKS-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.88
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide

N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 51167835) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
PubChem CID51167835
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C19H22N2O6/c1-11(19(22)21-12-5-6-14-15(7-12)27-10-26-14)20-13-8-16(23-2)18(25-4)17(9-13)24-3/h5-9,11,20H,10H2,1-4H3,(H,21,22)
InChIKeyPVJBMMDGPWMEKS-UHFFFAOYSA-N
XLogP2.88
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide 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-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1-methylindole-2-carboxamide
CID 42535642
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7453372
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 26374826
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 2443696
N-(1,3-benzodioxol-5-yl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 55598967

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide (CID 51167835) is N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NC(C)C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is PVJBMMDGPWMEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-11(19(22)21-12-5-6-14-15(7-12)27-10-26-14)20-13-8-16(23-2)18(25-4)17(9-13)24-3/h5-9,11,20H,10H2,1-4H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide?
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 374.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 51167835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).