(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide

C16H20N2O3 — CID 120934546

IUPAC(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-11-15(17-8-9-20-11)16(19)18-7-6-13-10-12-4-2-3-5-14(12)21-13/h2-5,10-11,15,17H,6-9H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyHGHSKULSUMYAQW-ABAIWWIYSA-N
MW288.35 g/mol
LogP1.47
Rot. Bonds4

About (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120934546) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120934546
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-11-15(17-8-9-20-11)16(19)18-7-6-13-10-12-4-2-3-5-14(12)21-13/h2-5,10-11,15,17H,6-9H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyHGHSKULSUMYAQW-ABAIWWIYSA-N
XLogP1.47
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
N-[2-(1-benzofuran-2-yl)ethyl]piperidine-2-carboxamide
CID 119332486
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119332483
(2R,3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932530
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120934546) is (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCc1cc2ccccc2o1.
What is the InChIKey of (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is HGHSKULSUMYAQW-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-15(17-8-9-20-11)16(19)18-7-6-13-10-12-4-2-3-5-14(12)21-13/h2-5,10-11,15,17H,6-9H2,1H3,(H,18,19)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120934546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).