N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H21NO2 — CID 51296393

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(NC(=O)C2Cc3ccccc3O2)C2CC2)cc1
InChIInChI=1S/C20H21NO2/c1-13-6-8-14(9-7-13)19(15-10-11-15)21-20(22)18-12-16-4-2-3-5-17(16)23-18/h2-9,15,18-19H,10-12H2,1H3,(H,21,22)
InChIKeyOWOIQVMAGKZEEU-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.57
Rot. Bonds4

About N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51296393) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51296393
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(NC(=O)C2Cc3ccccc3O2)C2CC2)cc1
InChIInChI=1S/C20H21NO2/c1-13-6-8-14(9-7-13)19(15-10-11-15)21-20(22)18-12-16-4-2-3-5-17(16)23-18/h2-9,15,18-19H,10-12H2,1H3,(H,21,22)
InChIKeyOWOIQVMAGKZEEU-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24582542
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39612398
N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 51238799
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041230
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55830599
(2R)-2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926570
(2R,3S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylpentanoic acid
CID 124838129
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51296393) is N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(C(NC(=O)C2Cc3ccccc3O2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is OWOIQVMAGKZEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-6-8-14(9-7-13)19(15-10-11-15)21-20(22)18-12-16-4-2-3-5-17(16)23-18/h2-9,15,18-19H,10-12H2,1H3,(H,21,22).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51296393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).