3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide

C23H25NO4 — CID 28672317

IUPAC3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1
InChIInChI=1S/C23H25NO4/c1-3-4-12-27-19-7-5-6-17(14-19)23(26)24-18-8-10-21(16(2)13-18)22-11-9-20(15-25)28-22/h5-11,13-14,25H,3-4,12,15H2,1-2H3,(H,24,26)
InChIKeyXPFYLCXVBQOEKJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.18
Rot. Bonds8

About 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide

3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide (PubChem CID 28672317) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide
PubChem CID28672317
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1
InChIInChI=1S/C23H25NO4/c1-3-4-12-27-19-7-5-6-17(14-19)23(26)24-18-8-10-21(16(2)13-18)22-11-9-20(15-25)28-22/h5-11,13-14,25H,3-4,12,15H2,1-2H3,(H,24,26)
InChIKeyXPFYLCXVBQOEKJ-UHFFFAOYSA-N
XLogP5.18
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
3-butoxy-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28687860
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
3-butoxy-N-(9,10-dioxoanthracen-2-yl)benzamide
CID 3976635
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-phenylmethoxybenzamide
CID 28677525
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 28670990

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide?
The IUPAC name of 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide (CID 28672317) is 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1.
What is the InChIKey of 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide?
The InChIKey is XPFYLCXVBQOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-4-12-27-19-7-5-6-17(14-19)23(26)24-18-8-10-21(16(2)13-18)22-11-9-20(15-25)28-22/h5-11,13-14,25H,3-4,12,15H2,1-2H3,(H,24,26).
What are the key properties of 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide?
3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide is sourced from PubChem (CID 28672317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).