N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide

C20H20N2O3 — CID 119697982

IUPACN-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc2ccccc2o1)C1CNCCO1
InChIInChI=1S/C20H20N2O3/c23-20(18-13-21-10-11-24-18)22-19(14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)25-17/h1-9,12,18-19,21H,10-11,13H2,(H,22,23)
InChIKeyXNAFMNROUIEGRF-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.63
Rot. Bonds4

About N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide

N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide (PubChem CID 119697982) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
PubChem CID119697982
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc2ccccc2o1)C1CNCCO1
InChIInChI=1S/C20H20N2O3/c23-20(18-13-21-10-11-24-18)22-19(14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)25-17/h1-9,12,18-19,21H,10-11,13H2,(H,22,23)
InChIKeyXNAFMNROUIEGRF-UHFFFAOYSA-N
XLogP2.63
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119275756
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119757947
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084
3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
CID 119697972
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-(2,3-diphenylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119803971
N-[2-(1-phenylethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792514
(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 97023553

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide (CID 119697982) is N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide is O=C(NC(c1ccccc1)c1cc2ccccc2o1)C1CNCCO1.
What is the InChIKey of N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide?
The InChIKey is XNAFMNROUIEGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(18-13-21-10-11-24-18)22-19(14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)25-17/h1-9,12,18-19,21H,10-11,13H2,(H,22,23).
What are the key properties of N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide?
N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119697982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).