N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C18H27N3O3 — CID 95201404

IUPACN-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCCN1CCO[C@@H](CCNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)C1
InChIInChI=1S/C18H27N3O3/c1-3-21-9-10-24-13(11-21)7-8-19-18(23)16-12(2)20-14-5-4-6-15(22)17(14)16/h13,20H,3-11H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyBVPYCYPVBFVWHO-ZDUSSCGKSA-N
MW333.43 g/mol
LogP1.68
Rot. Bonds5

About N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 95201404) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID95201404
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCCN1CCO[C@@H](CCNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)C1
InChIInChI=1S/C18H27N3O3/c1-3-21-9-10-24-13(11-21)7-8-19-18(23)16-12(2)20-14-5-4-6-15(22)17(14)16/h13,20H,3-11H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyBVPYCYPVBFVWHO-ZDUSSCGKSA-N
XLogP1.68
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethylmorpholin-2-yl)ethyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702354
N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115631010
N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
CID 56704628
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 56717531
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 95711318
2-[(2S)-4-ethylmorpholin-2-yl]-N-methylethanamine
CID 94133449
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
CID 59376033
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
2-[(2R)-4-ethylmorpholin-2-yl]-N-methylethanamine;molecular hydrogen
CID 169214323
1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 56754509
2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 72870176

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 95201404) is N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is CCN1CCO[C@@H](CCNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)C1.
What is the InChIKey of N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is BVPYCYPVBFVWHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21-9-10-24-13(11-21)7-8-19-18(23)16-12(2)20-14-5-4-6-15(22)17(14)16/h13,20H,3-11H2,1-2H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 95201404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).