N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide

C18H22N2O2 — CID 119070678

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)CCCO1
InChIInChI=1S/C18H22N2O2/c1-18(8-2-10-22-18)17(21)20(15-4-5-15)12-13-3-6-16-14(11-13)7-9-19-16/h3,6-7,9,11,15,19H,2,4-5,8,10,12H2,1H3
InChIKeyARVLIRMORYEBGC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds4

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide (PubChem CID 119070678) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
PubChem CID119070678
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)CCCO1
InChIInChI=1S/C18H22N2O2/c1-18(8-2-10-22-18)17(21)20(15-4-5-15)12-13-3-6-16-14(11-13)7-9-19-16/h3,6-7,9,11,15,19H,2,4-5,8,10,12H2,1H3
InChIKeyARVLIRMORYEBGC-UHFFFAOYSA-N
XLogP3.23
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide (CID 119070678) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide is CC1(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)CCCO1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide?
The InChIKey is ARVLIRMORYEBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(8-2-10-22-18)17(21)20(15-4-5-15)12-13-3-6-16-14(11-13)7-9-19-16/h3,6-7,9,11,15,19H,2,4-5,8,10,12H2,1H3.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 119070678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).