(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H22N2O4 — CID 94647418

IUPAC(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C20H22N2O4/c1-13-8-9-15(17(10-13)25-12-19(23)22(2)3)21-20(24)18-11-14-6-4-5-7-16(14)26-18/h4-10,18H,11-12H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyFKJAMUQGKWTLOK-GOSISDBHSA-N
MW354.41 g/mol
LogP2.40
Rot. Bonds5

About (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 94647418) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID94647418
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C20H22N2O4/c1-13-8-9-15(17(10-13)25-12-19(23)22(2)3)21-20(24)18-11-14-6-4-5-7-16(14)26-18/h4-10,18H,11-12H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyFKJAMUQGKWTLOK-GOSISDBHSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
CID 52506239
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8531124
N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117075723
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 94647418) is (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1.
What is the InChIKey of (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FKJAMUQGKWTLOK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-8-9-15(17(10-13)25-12-19(23)22(2)3)21-20(24)18-11-14-6-4-5-7-16(14)26-18/h4-10,18H,11-12H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 94647418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).