4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide

C26H30N2O — CID 20908852

IUPAC4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCC(C)c3ccccc3)cc1)CCC(C)C2
InChIInChI=1S/C26H30N2O/c1-18-9-14-25-23(15-18)16-20(3)28(25)24-12-10-22(11-13-24)26(29)27-17-19(2)21-7-5-4-6-8-21/h4-8,10-13,16,18-19H,9,14-15,17H2,1-3H3,(H,27,29)
InChIKeyLSWNGBSJVMNJFU-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.44
Rot. Bonds5

About 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide

4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide (PubChem CID 20908852) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide
PubChem CID20908852
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCC(C)c3ccccc3)cc1)CCC(C)C2
InChIInChI=1S/C26H30N2O/c1-18-9-14-25-23(15-18)16-20(3)28(25)24-12-10-22(11-13-24)26(29)27-17-19(2)21-7-5-4-6-8-21/h4-8,10-13,16,18-19H,9,14-15,17H2,1-3H3,(H,27,29)
InChIKeyLSWNGBSJVMNJFU-UHFFFAOYSA-N
XLogP5.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 20908874
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908865
7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919274
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 22522043
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 25097528
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908801
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide?
The IUPAC name of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide (CID 20908852) is 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide is Cc1cc2c(n1-c1ccc(C(=O)NCC(C)c3ccccc3)cc1)CCC(C)C2.
What is the InChIKey of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide?
The InChIKey is LSWNGBSJVMNJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-18-9-14-25-23(15-18)16-20(3)28(25)24-12-10-22(11-13-24)26(29)27-17-19(2)21-7-5-4-6-8-21/h4-8,10-13,16,18-19H,9,14-15,17H2,1-3H3,(H,27,29).
What are the key properties of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide?
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide has a molecular weight of 386.54 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 20908852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).