N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide

C27H23NO5 — CID 5093401

IUPACN-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)CC(O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C27H23NO5/c29-20(17-28(16-19-7-2-1-3-8-19)27(30)26-11-6-14-31-26)18-32-21-12-13-25-23(15-21)22-9-4-5-10-24(22)33-25/h1-15,20,29H,16-18H2
InChIKeyOIGYVLHMWHMCMK-UHFFFAOYSA-N
MW441.48 g/mol
LogP5.26
Rot. Bonds8

About N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide

N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide (PubChem CID 5093401) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide
PubChem CID5093401
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC NameN-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)CC(O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C27H23NO5/c29-20(17-28(16-19-7-2-1-3-8-19)27(30)26-11-6-14-31-26)18-32-21-12-13-25-23(15-21)22-9-4-5-10-24(22)33-25/h1-15,20,29H,16-18H2
InChIKeyOIGYVLHMWHMCMK-UHFFFAOYSA-N
XLogP5.26
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2356362
N-benzyl-4-chloro-N-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2368717
N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2368715
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
2-(3-chloro-2-hydroxypropoxy)xanthen-9-one
CID 10638254
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3258806
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
CID 30732583
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7745763
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide (CID 5093401) is N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccccc1)CC(O)COc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide?
The InChIKey is OIGYVLHMWHMCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO5/c29-20(17-28(16-19-7-2-1-3-8-19)27(30)26-11-6-14-31-26)18-32-21-12-13-25-23(15-21)22-9-4-5-10-24(22)33-25/h1-15,20,29H,16-18H2.
What are the key properties of N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide?
N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide is sourced from PubChem (CID 5093401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).