N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide

C27H26N2O2 — CID 167973953

IUPACN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
SMILESO=C1C2C3CC4C2C2(C(=O)NCc5ccc(CN6CCc7ccccc76)cc5)C1C3C42
InChIInChI=1S/C27H26N2O2/c30-25-21-17-11-18-22-20(17)24(25)27(22,23(18)21)26(31)28-12-14-5-7-15(8-6-14)13-29-10-9-16-3-1-2-4-19(16)29/h1-8,17-18,20-24H,9-13H2,(H,28,31)
InChIKeyQVHCMJUCXDITDH-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.19
Rot. Bonds5

About N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide (PubChem CID 167973953) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
PubChem CID167973953
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
SMILESO=C1C2C3CC4C2C2(C(=O)NCc5ccc(CN6CCc7ccccc76)cc5)C1C3C42
InChIInChI=1S/C27H26N2O2/c30-25-21-17-11-18-22-20(17)24(25)27(22,23(18)21)26(31)28-12-14-5-7-15(8-6-14)13-29-10-9-16-3-1-2-4-19(16)29/h1-8,17-18,20-24H,9-13H2,(H,28,31)
InChIKeyQVHCMJUCXDITDH-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide (CID 167973953) is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide is O=C1C2C3CC4C2C2(C(=O)NCc5ccc(CN6CCc7ccccc76)cc5)C1C3C42.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
The InChIKey is QVHCMJUCXDITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c30-25-21-17-11-18-22-20(17)24(25)27(22,23(18)21)26(31)28-12-14-5-7-15(8-6-14)13-29-10-9-16-3-1-2-4-19(16)29/h1-8,17-18,20-24H,9-13H2,(H,28,31).
What are the key properties of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide?
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide is sourced from PubChem (CID 167973953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).