(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen

C20H30N2O3 — CID 145244044

IUPAC(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen
SMILESCOc1ccc2[nH]cc([C@H]3CCC[C@@H](NC(=O)[C@@H]4CCCO4)C3)c2c1.[H][H].[H][H]
InChIInChI=1S/C20H26N2O3.2H2/c1-24-15-7-8-18-16(11-15)17(12-21-18)13-4-2-5-14(10-13)22-20(23)19-6-3-9-25-19;;/h7-8,11-14,19,21H,2-6,9-10H2,1H3,(H,22,23);2*1H/t13-,14+,19-;;/m0../s1
InChIKeyOEXPKWFQBWIECY-AYERALKFSA-N
MW346.47 g/mol
LogP3.99
Rot. Bonds4

About (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen

(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen (PubChem CID 145244044) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen
PubChem CID145244044
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen
SMILESCOc1ccc2[nH]cc([C@H]3CCC[C@@H](NC(=O)[C@@H]4CCCO4)C3)c2c1.[H][H].[H][H]
InChIInChI=1S/C20H26N2O3.2H2/c1-24-15-7-8-18-16(11-15)17(12-21-18)13-4-2-5-14(10-13)22-20(23)19-6-3-9-25-19;;/h7-8,11-14,19,21H,2-6,9-10H2,1H3,(H,22,23);2*1H/t13-,14+,19-;;/m0../s1
InChIKeyOEXPKWFQBWIECY-AYERALKFSA-N
XLogP3.99
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen?
The IUPAC name of (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen (CID 145244044) is (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen?
The canonical SMILES for (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen is COc1ccc2[nH]cc([C@H]3CCC[C@@H](NC(=O)[C@@H]4CCCO4)C3)c2c1.[H][H].[H][H].
What is the InChIKey of (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen?
The InChIKey is OEXPKWFQBWIECY-AYERALKFSA-N. The full InChI is InChI=1S/C20H26N2O3.2H2/c1-24-15-7-8-18-16(11-15)17(12-21-18)13-4-2-5-14(10-13)22-20(23)19-6-3-9-25-19;;/h7-8,11-14,19,21H,2-6,9-10H2,1H3,(H,22,23);2*1H/t13-,14+,19-;;/m0../s1.
What are the key properties of (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen?
(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen has a molecular weight of 346.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 145244044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).