4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide

C26H35N3O2 — CID 30575716

IUPAC4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCN1CCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21
InChIInChI=1S/C26H35N3O2/c1-26(2,3)22-8-5-19(6-9-22)25(30)27-18-24(29-13-15-31-16-14-29)20-7-10-23-21(17-20)11-12-28(23)4/h5-10,17,24H,11-16,18H2,1-4H3,(H,27,30)/t24-/m1/s1
InChIKeyORZIDZYRXWRFKS-XMMPIXPASA-N
MW421.59 g/mol
LogP3.78
Rot. Bonds5

About 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide

4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 30575716) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID30575716
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCN1CCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21
InChIInChI=1S/C26H35N3O2/c1-26(2,3)22-8-5-19(6-9-22)25(30)27-18-24(29-13-15-31-16-14-29)20-7-10-23-21(17-20)11-12-28(23)4/h5-10,17,24H,11-16,18H2,1-4H3,(H,27,30)/t24-/m1/s1
InChIKeyORZIDZYRXWRFKS-XMMPIXPASA-N
XLogP3.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.78
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

4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
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
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 30575872
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
4-bromo-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30575996
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
3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812668
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 30575673

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide (CID 30575716) is 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide is CN1CCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21.
What is the InChIKey of 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is ORZIDZYRXWRFKS-XMMPIXPASA-N. The full InChI is InChI=1S/C26H35N3O2/c1-26(2,3)22-8-5-19(6-9-22)25(30)27-18-24(29-13-15-31-16-14-29)20-7-10-23-21(17-20)11-12-28(23)4/h5-10,17,24H,11-16,18H2,1-4H3,(H,27,30)/t24-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 30575716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).