(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

C22H23N3O3 — CID 31941052

IUPAC(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C22H23N3O3/c26-21(23-11-10-16-14-24-19-8-2-1-7-18(16)19)15-5-3-6-17(13-15)25-22(27)20-9-4-12-28-20/h1-3,5-8,13-14,20,24H,4,9-12H2,(H,23,26)(H,25,27)/t20-/m0/s1
InChIKeyUETQBGNRDIQPRK-FQEVSTJZSA-N
MW377.44 g/mol
LogP3.26
Rot. Bonds6

About (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 31941052) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID31941052
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C22H23N3O3/c26-21(23-11-10-16-14-24-19-8-2-1-7-18(16)19)15-5-3-6-17(13-15)25-22(27)20-9-4-12-28-20/h1-3,5-8,13-14,20,24H,4,9-12H2,(H,23,26)(H,25,27)/t20-/m0/s1
InChIKeyUETQBGNRDIQPRK-FQEVSTJZSA-N
XLogP3.26
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049716
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303
(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 52509495
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
N-[3-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111973948

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 31941052) is (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is UETQBGNRDIQPRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(23-11-10-16-14-24-19-8-2-1-7-18(16)19)15-5-3-6-17(13-15)25-22(27)20-9-4-12-28-20/h1-3,5-8,13-14,20,24H,4,9-12H2,(H,23,26)(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 31941052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).