N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide

C26H29N3O2 — CID 30575673

IUPACN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
SMILESCN1CCc2cc([C@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21
InChIInChI=1S/C26H29N3O2/c1-28-12-11-21-17-20(9-10-24(21)28)25(29-13-15-31-16-14-29)18-27-26(30)23-8-4-6-19-5-2-3-7-22(19)23/h2-10,17,25H,11-16,18H2,1H3,(H,27,30)/t25-/m0/s1
InChIKeyVDSIZJBAXACNAQ-VWLOTQADSA-N
MW415.54 g/mol
LogP3.64
Rot. Bonds5

About N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide

N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide (PubChem CID 30575673) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
PubChem CID30575673
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
SMILESCN1CCc2cc([C@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21
InChIInChI=1S/C26H29N3O2/c1-28-12-11-21-17-20(9-10-24(21)28)25(29-13-15-31-16-14-29)18-27-26(30)23-8-4-6-19-5-2-3-7-22(19)23/h2-10,17,25H,11-16,18H2,1H3,(H,27,30)/t25-/m0/s1
InChIKeyVDSIZJBAXACNAQ-VWLOTQADSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 30575681
2-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575632
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)benzamide
CID 30575483
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 27369763
3-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575570
3-bromo-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812658
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 30575519

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide (CID 30575673) is N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide is CN1CCc2cc([C@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21.
What is the InChIKey of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide?
The InChIKey is VDSIZJBAXACNAQ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-28-12-11-21-17-20(9-10-24(21)28)25(29-13-15-31-16-14-29)18-27-26(30)23-8-4-6-19-5-2-3-7-22(19)23/h2-10,17,25H,11-16,18H2,1H3,(H,27,30)/t25-/m0/s1.
What are the key properties of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide?
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 30575673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).