N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide

C19H27N3O2 — CID 97024088

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
SMILESC[C@@H]1CN(CCCCNC(=O)c2ccc3[nH]ccc3c2)C[C@H](C)O1
InChIInChI=1S/C19H27N3O2/c1-14-12-22(13-15(2)24-14)10-4-3-8-21-19(23)17-5-6-18-16(11-17)7-9-20-18/h5-7,9,11,14-15,20H,3-4,8,10,12-13H2,1-2H3,(H,21,23)/t14-,15+
InChIKeyLYZWKGPLXAHXIT-GASCZTMLSA-N
MW329.44 g/mol
LogP2.79
Rot. Bonds6

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 97024088) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
PubChem CID97024088
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
SMILESC[C@@H]1CN(CCCCNC(=O)c2ccc3[nH]ccc3c2)C[C@H](C)O1
InChIInChI=1S/C19H27N3O2/c1-14-12-22(13-15(2)24-14)10-4-3-8-21-19(23)17-5-6-18-16(11-17)7-9-20-18/h5-7,9,11,14-15,20H,3-4,8,10,12-13H2,1-2H3,(H,21,23)/t14-,15+
InChIKeyLYZWKGPLXAHXIT-GASCZTMLSA-N
XLogP2.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide (CID 97024088) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide is C[C@@H]1CN(CCCCNC(=O)c2ccc3[nH]ccc3c2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is LYZWKGPLXAHXIT-GASCZTMLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-12-22(13-15(2)24-14)10-4-3-8-21-19(23)17-5-6-18-16(11-17)7-9-20-18/h5-7,9,11,14-15,20H,3-4,8,10,12-13H2,1-2H3,(H,21,23)/t14-,15+.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 97024088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).