N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C27H23NO4 — CID 42782299

IUPACN-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(c1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H23NO4/c29-27(21-12-13-25-26(17-21)32-16-15-31-25)28(19-23-10-6-14-30-23)18-22-9-4-5-11-24(22)20-7-2-1-3-8-20/h1-14,17H,15-16,18-19H2
InChIKeyLGEGBHQRKNRZLV-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.56
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 42782299) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID42782299
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(c1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H23NO4/c29-27(21-12-13-25-26(17-21)32-16-15-31-25)28(19-23-10-6-14-30-23)18-22-9-4-5-11-24(22)20-7-2-1-3-8-20/h1-14,17H,15-16,18-19H2
InChIKeyLGEGBHQRKNRZLV-UHFFFAOYSA-N
XLogP5.56
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 42782300
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42773032
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide
CID 42796369
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]acetic acid
CID 63650376
N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 37429056
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 26341794
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 42724577
N-butan-2-yl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 5041792
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 42782299) is N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(c1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is LGEGBHQRKNRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c29-27(21-12-13-25-26(17-21)32-16-15-31-25)28(19-23-10-6-14-30-23)18-22-9-4-5-11-24(22)20-7-2-1-3-8-20/h1-14,17H,15-16,18-19H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 42782299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).