N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C27H28N2O4 — CID 55793270

IUPACN-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1
InChIInChI=1S/C27H28N2O4/c1-17(2)32-23-13-11-19(12-14-23)18(3)28-26(30)21-8-6-9-22(15-21)29-27(31)25-16-20-7-4-5-10-24(20)33-25/h4-15,17-18,25H,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyFFHAXACEGABJKU-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.91
Rot. Bonds7

About N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55793270) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55793270
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1
InChIInChI=1S/C27H28N2O4/c1-17(2)32-23-13-11-19(12-14-23)18(3)28-26(30)21-8-6-9-22(15-21)29-27(31)25-16-20-7-4-5-10-24(20)33-25/h4-15,17-18,25H,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyFFHAXACEGABJKU-UHFFFAOYSA-N
XLogP4.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
CID 120523389
(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 39991424
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155945349
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55825530
N-[3-[2-(3-methoxyphenoxy)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792953
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003571
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 43339571

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55793270) is N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)Oc1ccc(C(C)NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1.
What is the InChIKey of N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FFHAXACEGABJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-17(2)32-23-13-11-19(12-14-23)18(3)28-26(30)21-8-6-9-22(15-21)29-27(31)25-16-20-7-4-5-10-24(20)33-25/h4-15,17-18,25H,16H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55793270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).