N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide

C23H23NO4 — CID 134029356

IUPACN-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C23H23NO4/c25-23(18-10-12-19(13-11-18)28-16-20-8-4-14-26-20)24-22(21-9-5-15-27-21)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,20,22H,4,8,14,16H2,(H,24,25)
InChIKeyDLUDULBZGPDCPD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.36
Rot. Bonds7

About N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 134029356) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID134029356
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C23H23NO4/c25-23(18-10-12-19(13-11-18)28-16-20-8-4-14-26-20)24-22(21-9-5-15-27-21)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,20,22H,4,8,14,16H2,(H,24,25)
InChIKeyDLUDULBZGPDCPD-UHFFFAOYSA-N
XLogP4.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 51968449
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 134029356) is N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide is O=C(NC(c1ccccc1)c1ccco1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is DLUDULBZGPDCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-23(18-10-12-19(13-11-18)28-16-20-8-4-14-26-20)24-22(21-9-5-15-27-21)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,20,22H,4,8,14,16H2,(H,24,25).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 134029356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).