N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide

C27H28N2O4 — CID 53093713

IUPACN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C27H28N2O4/c1-3-32-24-13-11-22(17-25(24)33-4-2)26(30)28-18-19-10-12-23-21(16-19)14-15-29(23)27(31)20-8-6-5-7-9-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,28,30)
InChIKeyRTXRDZVVIVJHHN-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.62
Rot. Bonds8

About N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide (PubChem CID 53093713) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
PubChem CID53093713
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C27H28N2O4/c1-3-32-24-13-11-22(17-25(24)33-4-2)26(30)28-18-19-10-12-23-21(16-19)14-15-29(23)27(31)20-8-6-5-7-9-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,28,30)
InChIKeyRTXRDZVVIVJHHN-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 53090079

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide (CID 53093713) is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1OCC.
What is the InChIKey of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide?
The InChIKey is RTXRDZVVIVJHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-3-32-24-13-11-22(17-25(24)33-4-2)26(30)28-18-19-10-12-23-21(16-19)14-15-29(23)27(31)20-8-6-5-7-9-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,28,30).
What are the key properties of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide?
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide has a molecular weight of 444.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 53093713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).