N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H21NO4 — CID 110698832

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C19H21NO4/c1-22-15-7-8-16(23-2)14(11-15)9-10-20-19(21)18-12-13-5-3-4-6-17(13)24-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyKNDAJJNCVAAEBT-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 110698832) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID110698832
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C19H21NO4/c1-22-15-7-8-16(23-2)14(11-15)9-10-20-19(21)18-12-13-5-3-4-6-17(13)24-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyKNDAJJNCVAAEBT-UHFFFAOYSA-N
XLogP2.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 110700805
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51317174
1-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 9089522
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
methyl 5-[(2,3-dihydro-1-benzofuran-2-carbonylamino)methyl]-2-methoxybenzoate
CID 18089755
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 16649057
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94484941
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 110698832) is N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(OC)c(CCNC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KNDAJJNCVAAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-15-7-8-16(23-2)14(11-15)9-10-20-19(21)18-12-13-5-3-4-6-17(13)24-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110698832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).