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

C25H24N2O3 — CID 53093735

IUPACN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-18(30-22-10-6-3-7-11-22)24(28)26-17-19-12-13-23-21(16-19)14-15-27(23)25(29)20-8-4-2-5-9-20/h2-13,16,18H,14-15,17H2,1H3,(H,26,28)
InChIKeyOCPYCBBXVFOIDY-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.97
Rot. Bonds6

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

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide (PubChem CID 53093735) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
PubChem CID53093735
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-18(30-22-10-6-3-7-11-22)24(28)26-17-19-12-13-23-21(16-19)14-15-27(23)25(29)20-8-4-2-5-9-20/h2-13,16,18H,14-15,17H2,1H3,(H,26,28)
InChIKeyOCPYCBBXVFOIDY-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 53090079
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 53093738
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide (CID 53093735) is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide?
The InChIKey is OCPYCBBXVFOIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(30-22-10-6-3-7-11-22)24(28)26-17-19-12-13-23-21(16-19)14-15-27(23)25(29)20-8-4-2-5-9-20/h2-13,16,18H,14-15,17H2,1H3,(H,26,28).
What are the key properties of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide?
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide has a molecular weight of 400.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 53093735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).