N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide

C30H29NO5 — CID 58384167

IUPACN-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)cc1COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C30H29NO5/c1-22(32)17-23-10-13-27(14-11-23)36-21-26-18-25(12-15-28(26)34-2)20-31(19-24-7-4-3-5-8-24)30(33)29-9-6-16-35-29/h3-16,18H,17,19-21H2,1-2H3
InChIKeyGPBJUFABGINLFL-UHFFFAOYSA-N
MW483.56 g/mol
LogP5.84
Rot. Bonds11

About N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide

N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 58384167) has the molecular formula C30H29NO5 and a molecular weight of 483.56 g/mol. Its IUPAC name is N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide
PubChem CID58384167
Molecular FormulaC30H29NO5
Molecular Weight483.56 g/mol
Exact Mass483.20
IUPAC NameN-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)cc1COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C30H29NO5/c1-22(32)17-23-10-13-27(14-11-23)36-21-26-18-25(12-15-28(26)34-2)20-31(19-24-7-4-3-5-8-24)30(33)29-9-6-16-35-29/h3-16,18H,17,19-21H2,1-2H3
InChIKeyGPBJUFABGINLFL-UHFFFAOYSA-N
XLogP5.84
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide
CID 58384153
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704323
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42701738
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
N-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl]-3-amino-N-benzylcyclohepta-2,4,6-triene-1-carboxamide
CID 143980751
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 42695445
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
CID 4554266
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 42797806
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide (CID 58384167) is N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide is COc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)cc1COc1ccc(CC(C)=O)cc1.
What is the InChIKey of N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is GPBJUFABGINLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO5/c1-22(32)17-23-10-13-27(14-11-23)36-21-26-18-25(12-15-28(26)34-2)20-31(19-24-7-4-3-5-8-24)30(33)29-9-6-16-35-29/h3-16,18H,17,19-21H2,1-2H3.
What are the key properties of N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide?
N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 5.84, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 58384167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).