3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide

C29H30N2O2 — CID 22627505

IUPAC3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C29H30N2O2/c1-4-10-25-27(28(32)19(2)3)24-16-15-21(29(30)33)17-26(24)31(25)18-22-13-8-9-14-23(22)20-11-6-5-7-12-20/h5-9,11-17,19H,4,10,18H2,1-3H3,(H2,30,33)
InChIKeyHFAYVDDPNUZANK-UHFFFAOYSA-N
MW438.57 g/mol
LogP6.25
Rot. Bonds8

About 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide

3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide (PubChem CID 22627505) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
PubChem CID22627505
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C29H30N2O2/c1-4-10-25-27(28(32)19(2)3)24-16-15-21(29(30)33)17-26(24)31(25)18-22-13-8-9-14-23(22)20-11-6-5-7-12-20/h5-9,11-17,19H,4,10,18H2,1-3H3,(H2,30,33)
InChIKeyHFAYVDDPNUZANK-UHFFFAOYSA-N
XLogP6.25
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide?
The IUPAC name of 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide (CID 22627505) is 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide?
The canonical SMILES for 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide is CCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide?
The InChIKey is HFAYVDDPNUZANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-4-10-25-27(28(32)19(2)3)24-16-15-21(29(30)33)17-26(24)31(25)18-22-13-8-9-14-23(22)20-11-6-5-7-12-20/h5-9,11-17,19H,4,10,18H2,1-3H3,(H2,30,33).
What are the key properties of 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide?
3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide is sourced from PubChem (CID 22627505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).