N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide

C26H26N2O3 — CID 53109826

IUPACN-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(OC)cc4)cc3)ccc21
InChIInChI=1S/C26H26N2O3/c1-3-25(29)28-15-14-22-16-21(10-13-24(22)28)19-6-8-20(9-7-19)26(30)27-17-18-4-11-23(31-2)12-5-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,30)
InChIKeyLHGGHXOHVHGULM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.59
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide

N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 53109826) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
PubChem CID53109826
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(OC)cc4)cc3)ccc21
InChIInChI=1S/C26H26N2O3/c1-3-25(29)28-15-14-22-16-21(10-13-24(22)28)19-6-8-20(9-7-19)26(30)27-17-18-4-11-23(31-2)12-5-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,30)
InChIKeyLHGGHXOHVHGULM-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789611
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate
CID 153360813
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide (CID 53109826) is N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide is CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(OC)cc4)cc3)ccc21.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
The InChIKey is LHGGHXOHVHGULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-3-25(29)28-15-14-22-16-21(10-13-24(22)28)19-6-8-20(9-7-19)26(30)27-17-18-4-11-23(31-2)12-5-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 53109826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).