N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide

C25H24N2O2 — CID 44624445

IUPACN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17-7-6-10-23-22(18(2)27-24(17)23)15-16-26-25(28)19-11-13-21(14-12-19)29-20-8-4-3-5-9-20/h3-14,27H,15-16H2,1-2H3,(H,26,28)
InChIKeySXZDVPMUXRPTJI-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.55
Rot. Bonds6

About N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide (PubChem CID 44624445) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
PubChem CID44624445
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17-7-6-10-23-22(18(2)27-24(17)23)15-16-26-25(28)19-11-13-21(14-12-19)29-20-8-4-3-5-9-20/h3-14,27H,15-16H2,1-2H3,(H,26,28)
InChIKeySXZDVPMUXRPTJI-UHFFFAOYSA-N
XLogP5.55
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide
CID 143932583
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate
CID 91132976
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
3-[4-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-N-methylbenzamide
CID 59173236
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
tert-butyl-[3-[(4-phenoxybenzoyl)amino]propyl]azanium
CID 9089830
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide (CID 44624445) is N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide is Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
The InChIKey is SXZDVPMUXRPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-7-6-10-23-22(18(2)27-24(17)23)15-16-26-25(28)19-11-13-21(14-12-19)29-20-8-4-3-5-9-20/h3-14,27H,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 44624445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).