N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide

C28H32N2O — CID 43886668

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H32N2O/c1-20(22-13-15-25(16-14-22)28(2,3)4)29-27(31)24-11-9-21(10-12-24)19-30-18-17-23-7-5-6-8-26(23)30/h5-16,20H,17-19H2,1-4H3,(H,29,31)
InChIKeyFNWAMQMXYJJBMN-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.04
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide

N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide (PubChem CID 43886668) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
PubChem CID43886668
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H32N2O/c1-20(22-13-15-25(16-14-22)28(2,3)4)29-27(31)24-11-9-21(10-12-24)19-30-18-17-23-7-5-6-8-26(23)30/h5-16,20H,17-19H2,1-4H3,(H,29,31)
InChIKeyFNWAMQMXYJJBMN-UHFFFAOYSA-N
XLogP6.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 92682372
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 46776239

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide (CID 43886668) is N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide is CC(NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The InChIKey is FNWAMQMXYJJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-20(22-13-15-25(16-14-22)28(2,3)4)29-27(31)24-11-9-21(10-12-24)19-30-18-17-23-7-5-6-8-26(23)30/h5-16,20H,17-19H2,1-4H3,(H,29,31).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide has a molecular weight of 412.58 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide is sourced from PubChem (CID 43886668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).