N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide

C16H21N3O3 — CID 71868444

IUPACN-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NCc2cc3ccccc3[nH]2)CCO1
InChIInChI=1S/C16H21N3O3/c1-21-11-14-10-19(6-7-22-14)16(20)17-9-13-8-12-4-2-3-5-15(12)18-13/h2-5,8,14,18H,6-7,9-11H2,1H3,(H,17,20)
InChIKeyQJBPQDRYMCWZFQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.72
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide

N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 71868444) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID71868444
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NCc2cc3ccccc3[nH]2)CCO1
InChIInChI=1S/C16H21N3O3/c1-21-11-14-10-19(6-7-22-14)16(20)17-9-13-8-12-4-2-3-5-15(12)18-13/h2-5,8,14,18H,6-7,9-11H2,1H3,(H,17,20)
InChIKeyQJBPQDRYMCWZFQ-UHFFFAOYSA-N
XLogP1.72
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75389166
2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]morpholine-4-carboxamide
CID 75374769
(2R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 126435815
N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60605560
4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443027
(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124577288
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
CID 97219077
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
CID 97219075
N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
CID 171519130
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide (CID 71868444) is N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide is COCC1CN(C(=O)NCc2cc3ccccc3[nH]2)CCO1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is QJBPQDRYMCWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-11-14-10-19(6-7-22-14)16(20)17-9-13-8-12-4-2-3-5-15(12)18-13/h2-5,8,14,18H,6-7,9-11H2,1H3,(H,17,20).
What are the key properties of N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide?
N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.72, 4 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-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71868444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).