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

C30H32N4O3 — CID 43049716

IUPACN-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(C)c1ccc(C(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C30H32N4O3/c1-34(2)23-14-12-20(13-15-23)25(26-19-31-27-10-4-3-9-24(26)27)18-32-29(35)21-7-5-8-22(17-21)33-30(36)28-11-6-16-37-28/h3-5,7-10,12-15,17,19,25,28,31H,6,11,16,18H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyVOYLKKOOPUUMKR-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.91
Rot. Bonds8

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

N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 43049716) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID43049716
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(C)c1ccc(C(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C30H32N4O3/c1-34(2)23-14-12-20(13-15-23)25(26-19-31-27-10-4-3-9-24(26)27)18-32-29(35)21-7-5-8-22(17-21)33-30(36)28-11-6-16-37-28/h3-5,7-10,12-15,17,19,25,28,31H,6,11,16,18H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyVOYLKKOOPUUMKR-UHFFFAOYSA-N
XLogP4.91
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 31941052
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4831761
(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 52511357
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55824718
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
(3R)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2114078
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 43049716) is N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide is CN(C)c1ccc(C(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is VOYLKKOOPUUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-34(2)23-14-12-20(13-15-23)25(26-19-31-27-10-4-3-9-24(26)27)18-32-29(35)21-7-5-8-22(17-21)33-30(36)28-11-6-16-37-28/h3-5,7-10,12-15,17,19,25,28,31H,6,11,16,18H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43049716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).