N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide

C19H21N3O3 — CID 75389166

IUPACN-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NCc3cc4ccccc4[nH]3)CCO2)o1
InChIInChI=1S/C19H21N3O3/c1-13-6-7-17(25-13)18-12-22(8-9-24-18)19(23)20-11-15-10-14-4-2-3-5-16(14)21-15/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyBRMZDFJNIXLROP-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.35
Rot. Bonds3

About N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide

N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide (PubChem CID 75389166) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
PubChem CID75389166
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NCc3cc4ccccc4[nH]3)CCO2)o1
InChIInChI=1S/C19H21N3O3/c1-13-6-7-17(25-13)18-12-22(8-9-24-18)19(23)20-11-15-10-14-4-2-3-5-16(14)21-15/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyBRMZDFJNIXLROP-UHFFFAOYSA-N
XLogP3.35
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71868444
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75432430
(2S)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071301
(2R)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071302
(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 97242314
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 109398792
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
CID 171519130
(2R)-2-(5-methylfuran-2-yl)-N-[3-[(R)-methylsulfinyl]phenyl]morpholine-4-carboxamide
CID 97242640
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104
4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443027
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide (CID 75389166) is N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide is Cc1ccc(C2CN(C(=O)NCc3cc4ccccc4[nH]3)CCO2)o1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The InChIKey is BRMZDFJNIXLROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-6-7-17(25-13)18-12-22(8-9-24-18)19(23)20-11-15-10-14-4-2-3-5-16(14)21-15/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75389166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).