(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide

C15H20N2O3 — CID 97226830

IUPAC(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)N(C)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C15H20N2O3/c1-16-6-8-20-14(10-16)15(18)17(2)12-3-4-13-11(9-12)5-7-19-13/h3-4,9,14H,5-8,10H2,1-2H3/t14-/m0/s1
InChIKeyKRTFSPOEFRXLES-AWEZNQCLSA-N
MW276.34 g/mol
LogP0.91
Rot. Bonds2

About (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide

(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide (PubChem CID 97226830) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
PubChem CID97226830
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)N(C)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C15H20N2O3/c1-16-6-8-20-14(10-16)15(18)17(2)12-3-4-13-11(9-12)5-7-19-13/h3-4,9,14H,5-8,10H2,1-2H3/t14-/m0/s1
InChIKeyKRTFSPOEFRXLES-AWEZNQCLSA-N
XLogP0.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-fluoro-4-methoxyphenyl)-N,4-dimethylmorpholine-2-carboxamide
CID 97062130
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
CID 115171539
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
CID 79087386
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide (CID 97226830) is (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide is CN1CCO[C@H](C(=O)N(C)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide?
The InChIKey is KRTFSPOEFRXLES-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-6-8-20-14(10-16)15(18)17(2)12-3-4-13-11(9-12)5-7-19-13/h3-4,9,14H,5-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide?
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 97226830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).