1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone

C20H19NO2 — CID 15322817

IUPAC1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(NCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H19NO2/c1-14(22)18-15(2)23-20(19(18)17-11-7-4-8-12-17)21-13-16-9-5-3-6-10-16/h3-12,21H,13H2,1-2H3
InChIKeyOWUYLGPYOYIMAV-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.07
Rot. Bonds5

About 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone

1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone (PubChem CID 15322817) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
PubChem CID15322817
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(NCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H19NO2/c1-14(22)18-15(2)23-20(19(18)17-11-7-4-8-12-17)21-13-16-9-5-3-6-10-16/h3-12,21H,13H2,1-2H3
InChIKeyOWUYLGPYOYIMAV-UHFFFAOYSA-N
XLogP5.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N,5-diphenyl-3-furamide
CID 716593
N-(4-methoxyphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 882779
N-(3,3-diphenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 4879946
N-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 646062
N-[4-(dimethylamino)phenyl]-2-methyl-5-phenyl-3-furamide
CID 748403
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 1247372
N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 2194475
N',N'-dimethyl-N-(5-phenylfuran-2-yl)propane-1,3-diamine
CID 137650791
N-[5-(2,3-dimethylphenyl)furan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 137660474
N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide
CID 22986846
5-(4-fluorophenyl)-1,3-dimethyl-6-[(2-phenylethyl)amino]furo[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 24283511

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone (CID 15322817) is 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone is CC(=O)c1c(C)oc(NCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The InChIKey is OWUYLGPYOYIMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14(22)18-15(2)23-20(19(18)17-11-7-4-8-12-17)21-13-16-9-5-3-6-10-16/h3-12,21H,13H2,1-2H3.
What are the key properties of 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)-2-methyl-4-phenylfuran-3-yl]ethanone is sourced from PubChem (CID 15322817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).