N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine

C30H41N3O2 — CID 143447137

IUPACN-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine
SMILESCC1CCCN1.CCCOc1ccc(-n2c(C(=O)NCC3CCCCC3)cc3ccccc32)cc1
InChIInChI=1S/C25H30N2O2.C5H11N/c1-2-16-29-22-14-12-21(13-15-22)27-23-11-7-6-10-20(23)17-24(27)25(28)26-18-19-8-4-3-5-9-19;1-5-3-2-4-6-5/h6-7,10-15,17,19H,2-5,8-9,16,18H2,1H3,(H,26,28);5-6H,2-4H2,1H3
InChIKeyMOFCNNHFPQXJBM-UHFFFAOYSA-N
MW475.68 g/mol
LogP6.49
Rot. Bonds7

About N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine

N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine (PubChem CID 143447137) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine
PubChem CID143447137
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine
SMILESCC1CCCN1.CCCOc1ccc(-n2c(C(=O)NCC3CCCCC3)cc3ccccc32)cc1
InChIInChI=1S/C25H30N2O2.C5H11N/c1-2-16-29-22-14-12-21(13-15-22)27-23-11-7-6-10-20(23)17-24(27)25(28)26-18-19-8-4-3-5-9-19;1-5-3-2-4-6-5/h6-7,10-15,17,19H,2-5,8-9,16,18H2,1H3,(H,26,28);5-6H,2-4H2,1H3
InChIKeyMOFCNNHFPQXJBM-UHFFFAOYSA-N
XLogP6.49
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine (CID 143447137) is N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine is CC1CCCN1.CCCOc1ccc(-n2c(C(=O)NCC3CCCCC3)cc3ccccc32)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine?
The InChIKey is MOFCNNHFPQXJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.C5H11N/c1-2-16-29-22-14-12-21(13-15-22)27-23-11-7-6-10-20(23)17-24(27)25(28)26-18-19-8-4-3-5-9-19;1-5-3-2-4-6-5/h6-7,10-15,17,19H,2-5,8-9,16,18H2,1H3,(H,26,28);5-6H,2-4H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine?
N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine has a molecular weight of 475.68 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine is sourced from PubChem (CID 143447137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).