N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide

C18H23N3O3 — CID 94800993

IUPACN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O3/c1-12-10-21(11-13(2)24-12)17(22)7-8-19-18(23)16-9-14-5-3-4-6-15(14)20-16/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3,(H,19,23)/t12-,13-/m1/s1
InChIKeyHTGQAVIXNDITFI-CHWSQXEVSA-N
MW329.40 g/mol
LogP1.92
Rot. Bonds4

About N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide

N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide (PubChem CID 94800993) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide
PubChem CID94800993
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O3/c1-12-10-21(11-13(2)24-12)17(22)7-8-19-18(23)16-9-14-5-3-4-6-15(14)20-16/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3,(H,19,23)/t12-,13-/m1/s1
InChIKeyHTGQAVIXNDITFI-CHWSQXEVSA-N
XLogP1.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52514146
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
ethyl 3-[[(3R)-3-[(1H-indole-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]propanoate
CID 25461417
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide (CID 94800993) is N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide is C[C@@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1.
What is the InChIKey of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide?
The InChIKey is HTGQAVIXNDITFI-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-10-21(11-13(2)24-12)17(22)7-8-19-18(23)16-9-14-5-3-4-6-15(14)20-16/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3,(H,19,23)/t12-,13-/m1/s1.
What are the key properties of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide?
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 94800993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).