(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide

C22H32N2O3 — CID 126553064

IUPAC(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide
SMILESCOc1ccc2c(c1)C([C@H]1CCC[C@@H](NC(=O)[C@H]3CCCCO3)C1)C(C)N2
InChIInChI=1S/C22H32N2O3/c1-14-21(18-13-17(26-2)9-10-19(18)23-14)15-6-5-7-16(12-15)24-22(25)20-8-3-4-11-27-20/h9-10,13-16,20-21,23H,3-8,11-12H2,1-2H3,(H,24,25)/t14?,15-,16+,20+,21?/m0/s1
InChIKeyNOPJLTNHVRBASF-NFFDTRNLSA-N
MW372.51 g/mol
LogP3.84
Rot. Bonds4

About (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide

(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide (PubChem CID 126553064) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide
PubChem CID126553064
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide
SMILESCOc1ccc2c(c1)C([C@H]1CCC[C@@H](NC(=O)[C@H]3CCCCO3)C1)C(C)N2
InChIInChI=1S/C22H32N2O3/c1-14-21(18-13-17(26-2)9-10-19(18)23-14)15-6-5-7-16(12-15)24-22(25)20-8-3-4-11-27-20/h9-10,13-16,20-21,23H,3-8,11-12H2,1-2H3,(H,24,25)/t14?,15-,16+,20+,21?/m0/s1
InChIKeyNOPJLTNHVRBASF-NFFDTRNLSA-N
XLogP3.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-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

(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen
CID 145244044
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
N-cyclobutyl-4-(3-methoxyphenyl)morpholine-2-carboxamide
CID 110254136
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-(2-methylcyclopropyl)oxane-2-carboxamide
CID 131084366
(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553136
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
CID 21449392
(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553219
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide (CID 126553064) is (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide is COc1ccc2c(c1)C([C@H]1CCC[C@@H](NC(=O)[C@H]3CCCCO3)C1)C(C)N2.
What is the InChIKey of (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide?
The InChIKey is NOPJLTNHVRBASF-NFFDTRNLSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-14-21(18-13-17(26-2)9-10-19(18)23-14)15-6-5-7-16(12-15)24-22(25)20-8-3-4-11-27-20/h9-10,13-16,20-21,23H,3-8,11-12H2,1-2H3,(H,24,25)/t14?,15-,16+,20+,21?/m0/s1.
What are the key properties of (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide?
(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide is sourced from PubChem (CID 126553064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).