N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide

C20H28N4O3 — CID 30576217

IUPACN'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1
InChIInChI=1S/C20H28N4O3/c1-3-7-21-19(25)20(26)22-14-18(24-9-11-27-12-10-24)15-4-5-17-16(13-15)6-8-23(17)2/h3-5,13,18H,1,6-12,14H2,2H3,(H,21,25)(H,22,26)/t18-/m0/s1
InChIKeyYSHXEOLYQNVNRS-SFHVURJKSA-N
MW372.47 g/mol
LogP0.47
Rot. Bonds6

About N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide

N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide (PubChem CID 30576217) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
PubChem CID30576217
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1
InChIInChI=1S/C20H28N4O3/c1-3-7-21-19(25)20(26)22-14-18(24-9-11-27-12-10-24)15-4-5-17-16(13-15)6-8-23(17)2/h3-5,13,18H,1,6-12,14H2,2H3,(H,21,25)(H,22,26)/t18-/m0/s1
InChIKeyYSHXEOLYQNVNRS-SFHVURJKSA-N
XLogP0.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 51640937
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30576169
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 30576277
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576318
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576494

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide (CID 30576217) is N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1.
What is the InChIKey of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The InChIKey is YSHXEOLYQNVNRS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-7-21-19(25)20(26)22-14-18(24-9-11-27-12-10-24)15-4-5-17-16(13-15)6-8-23(17)2/h3-5,13,18H,1,6-12,14H2,2H3,(H,21,25)(H,22,26)/t18-/m0/s1.
What are the key properties of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide has a molecular weight of 372.47 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]-N-prop-2-enyloxamide is sourced from PubChem (CID 30576217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).