(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide

C16H20N2O3 — CID 95871007

IUPAC(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
SMILESCCc1oc2c(NC(=O)[C@@H]3CNCCO3)cccc2c1C
InChIInChI=1S/C16H20N2O3/c1-3-13-10(2)11-5-4-6-12(15(11)21-13)18-16(19)14-9-17-7-8-20-14/h4-6,14,17H,3,7-9H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyMGRLVSOOIURBPN-AWEZNQCLSA-N
MW288.35 g/mol
LogP2.23
Rot. Bonds3

About (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide

(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide (PubChem CID 95871007) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
PubChem CID95871007
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
SMILESCCc1oc2c(NC(=O)[C@@H]3CNCCO3)cccc2c1C
InChIInChI=1S/C16H20N2O3/c1-3-13-10(2)11-5-4-6-12(15(11)21-13)18-16(19)14-9-17-7-8-20-14/h4-6,14,17H,3,7-9H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyMGRLVSOOIURBPN-AWEZNQCLSA-N
XLogP2.23
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 56896506
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide (CID 95871007) is (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide is CCc1oc2c(NC(=O)[C@@H]3CNCCO3)cccc2c1C.
What is the InChIKey of (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide?
The InChIKey is MGRLVSOOIURBPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-13-10(2)11-5-4-6-12(15(11)21-13)18-16(19)14-9-17-7-8-20-14/h4-6,14,17H,3,7-9H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide?
(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95871007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).