N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide

C21H24N2O4 — CID 53159946

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3cc(OC)ccc3OC)cccc21
InChIInChI=1S/C21H24N2O4/c1-4-20(24)23-11-10-16-17(6-5-7-18(16)23)21(25)22-13-14-12-15(26-2)8-9-19(14)27-3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25)
InChIKeyZKRUFWRBULNDMD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.93
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide (PubChem CID 53159946) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
PubChem CID53159946
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3cc(OC)ccc3OC)cccc21
InChIInChI=1S/C21H24N2O4/c1-4-20(24)23-11-10-16-17(6-5-7-18(16)23)21(25)22-13-14-12-15(26-2)8-9-19(14)27-3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25)
InChIKeyZKRUFWRBULNDMD-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-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-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159955
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159962
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160055
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isochromene-5-carboxamide
CID 138026649

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide (CID 53159946) is N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide is CCC(=O)N1CCc2c(C(=O)NCc3cc(OC)ccc3OC)cccc21.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The InChIKey is ZKRUFWRBULNDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-20(24)23-11-10-16-17(6-5-7-18(16)23)21(25)22-13-14-12-15(26-2)8-9-19(14)27-3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).