(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide

C22H24N2O3 — CID 52508334

IUPAC(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-26-17-8-6-15(7-9-17)19(12-24-22(25)16-10-11-27-14-16)20-13-23-21-5-3-2-4-18(20)21/h2-9,13,16,19,23H,10-12,14H2,1H3,(H,24,25)/t16-,19-/m0/s1
InChIKeyGXIMMNDUBZPCAP-LPHOPBHVSA-N
MW364.44 g/mol
LogP3.46
Rot. Bonds6

About (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide

(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 52508334) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
PubChem CID52508334
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-26-17-8-6-15(7-9-17)19(12-24-22(25)16-10-11-27-14-16)20-13-23-21-5-3-2-4-18(20)21/h2-9,13,16,19,23H,10-12,14H2,1H3,(H,24,25)/t16-,19-/m0/s1
InChIKeyGXIMMNDUBZPCAP-LPHOPBHVSA-N
XLogP3.46
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 52511357
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
3-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681087
4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55790068
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428
(2R,4S)-4-hydroxy-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 124587680
1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43007534
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide (CID 52508334) is (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide is COc1ccc([C@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is GXIMMNDUBZPCAP-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-17-8-6-15(7-9-17)19(12-24-22(25)16-10-11-27-14-16)20-13-23-21-5-3-2-4-18(20)21/h2-9,13,16,19,23H,10-12,14H2,1H3,(H,24,25)/t16-,19-/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 52508334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).