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

C27H31N3O2 — CID 30575681

IUPACN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
SMILESCN1CCc2cc([C@H](CNC(=O)Cc3cccc4ccccc34)N3CCOCC3)ccc21
InChIInChI=1S/C27H31N3O2/c1-29-12-11-23-17-22(9-10-25(23)29)26(30-13-15-32-16-14-30)19-28-27(31)18-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,17,26H,11-16,18-19H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyQWKRRZPOCHWYFQ-SANMLTNESA-N
MW429.56 g/mol
LogP3.56
Rot. Bonds6

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

N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide (PubChem CID 30575681) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
PubChem CID30575681
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
SMILESCN1CCc2cc([C@H](CNC(=O)Cc3cccc4ccccc34)N3CCOCC3)ccc21
InChIInChI=1S/C27H31N3O2/c1-29-12-11-23-17-22(9-10-25(23)29)26(30-13-15-32-16-14-30)19-28-27(31)18-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,17,26H,11-16,18-19H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyQWKRRZPOCHWYFQ-SANMLTNESA-N
XLogP3.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.56
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

N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 30575673
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 30575519
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
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]-N-(2-methylpropyl)oxamide
CID 30576488
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]-2-(3-methylphenoxy)acetamide
CID 30575745
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 51640937
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)benzamide
CID 30575483

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide (CID 30575681) is N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide is CN1CCc2cc([C@H](CNC(=O)Cc3cccc4ccccc34)N3CCOCC3)ccc21.
What is the InChIKey of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is QWKRRZPOCHWYFQ-SANMLTNESA-N. The full InChI is InChI=1S/C27H31N3O2/c1-29-12-11-23-17-22(9-10-25(23)29)26(30-13-15-32-16-14-30)19-28-27(31)18-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,17,26H,11-16,18-19H2,1H3,(H,28,31)/t26-/m0/s1.
What are the key properties of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide?
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 429.56 g/mol, XLogP of 3.56, 6 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]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 30575681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).