1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide

C19H27N3O2 — CID 56717402

IUPAC1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
SMILESCc1c(C(=O)NCCC2CN(C)CCO2)n(C)c2c(C)cccc12
InChIInChI=1S/C19H27N3O2/c1-13-6-5-7-16-14(2)18(22(4)17(13)16)19(23)20-9-8-15-12-21(3)10-11-24-15/h5-7,15H,8-12H2,1-4H3,(H,20,23)
InChIKeyHARCBPUJFUJFRK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.25
Rot. Bonds4

About 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide

1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide (PubChem CID 56717402) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
PubChem CID56717402
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
SMILESCc1c(C(=O)NCCC2CN(C)CCO2)n(C)c2c(C)cccc12
InChIInChI=1S/C19H27N3O2/c1-13-6-5-7-16-14(2)18(22(4)17(13)16)19(23)20-9-8-15-12-21(3)10-11-24-15/h5-7,15H,8-12H2,1-4H3,(H,20,23)
InChIKeyHARCBPUJFUJFRK-UHFFFAOYSA-N
XLogP2.25
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]quinoline-4-carboxamide
CID 95194938
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95197355
2-(3-cyano-2-methylindol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 56707417
5-methyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-propylpyrazole-4-carboxamide
CID 95188653
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56701471
2-(2-methoxyphenoxy)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 110709914
N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
CID 126424749

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide?
The IUPAC name of 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide (CID 56717402) is 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide?
The canonical SMILES for 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide is Cc1c(C(=O)NCCC2CN(C)CCO2)n(C)c2c(C)cccc12.
What is the InChIKey of 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide?
The InChIKey is HARCBPUJFUJFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-6-5-7-16-14(2)18(22(4)17(13)16)19(23)20-9-8-15-12-21(3)10-11-24-15/h5-7,15H,8-12H2,1-4H3,(H,20,23).
What are the key properties of 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide?
1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 56717402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).