(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide

C21H22N2O4 — CID 95895523

IUPAC(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)CCO2)c1
InChIInChI=1S/C21H22N2O4/c1-14-3-2-4-17(11-14)22-20(24)19-13-23(8-10-27-19)21(25)16-5-6-18-15(12-16)7-9-26-18/h2-6,11-12,19H,7-10,13H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyVYESEZHBOQSLSS-LJQANCHMSA-N
MW366.42 g/mol
LogP2.41
Rot. Bonds3

About (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide

(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide (PubChem CID 95895523) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide
PubChem CID95895523
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)CCO2)c1
InChIInChI=1S/C21H22N2O4/c1-14-3-2-4-17(11-14)22-20(24)19-13-23(8-10-27-19)21(25)16-5-6-18-15(12-16)7-9-26-18/h2-6,11-12,19H,7-10,13H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyVYESEZHBOQSLSS-LJQANCHMSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
[2-(bromomethyl)morpholin-4-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81210605
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87007164
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 46585627
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide (CID 95895523) is (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide is Cc1cccc(NC(=O)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)CCO2)c1.
What is the InChIKey of (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide?
The InChIKey is VYESEZHBOQSLSS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-3-2-4-17(11-14)22-20(24)19-13-23(8-10-27-19)21(25)16-5-6-18-15(12-16)7-9-26-18/h2-6,11-12,19H,7-10,13H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide?
(2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(3-methylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 95895523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).