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

C23H27N3O2 — CID 52511357

IUPAC(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O2/c1-26(2)18-9-7-16(8-10-18)20(13-25-23(27)17-11-12-28-15-17)21-14-24-22-6-4-3-5-19(21)22/h3-10,14,17,20,24H,11-13,15H2,1-2H3,(H,25,27)/t17-,20+/m0/s1
InChIKeyVSFUKRVDFFRJBG-FXAWDEMLSA-N
MW377.49 g/mol
LogP3.52
Rot. Bonds6

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

(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide (PubChem CID 52511357) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
PubChem CID52511357
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O2/c1-26(2)18-9-7-16(8-10-18)20(13-25-23(27)17-11-12-28-15-17)21-14-24-22-6-4-3-5-19(21)22/h3-10,14,17,20,24H,11-13,15H2,1-2H3,(H,25,27)/t17-,20+/m0/s1
InChIKeyVSFUKRVDFFRJBG-FXAWDEMLSA-N
XLogP3.52
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 52508334
(3R)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2114078
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053644
(2S)-2-cyclopropyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 95781093
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41170413
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 43004910
(1S)-2,2-dichloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 31854198
2,2-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 43005305
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 25354544

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide (CID 52511357) is (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide is CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is VSFUKRVDFFRJBG-FXAWDEMLSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26(2)18-9-7-16(8-10-18)20(13-25-23(27)17-11-12-28-15-17)21-14-24-22-6-4-3-5-19(21)22/h3-10,14,17,20,24H,11-13,15H2,1-2H3,(H,25,27)/t17-,20+/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 52511357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).