N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

C24H27NO3 — CID 5126774

IUPACN-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C)o2)cc1
InChIInChI=1S/C24H27NO3/c1-3-4-16-27-22-14-11-21(12-15-22)24(26)25(17-20-8-6-5-7-9-20)18-23-13-10-19(2)28-23/h5-15H,3-4,16-18H2,1-2H3
InChIKeyUMSSMVNJYNFDQZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.61
Rot. Bonds9

About N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 5126774) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID5126774
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C)o2)cc1
InChIInChI=1S/C24H27NO3/c1-3-4-16-27-22-14-11-21(12-15-22)24(26)25(17-20-8-6-5-7-9-20)18-23-13-10-19(2)28-23/h5-15H,3-4,16-18H2,1-2H3
InChIKeyUMSSMVNJYNFDQZ-UHFFFAOYSA-N
XLogP5.61
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
CID 4274304
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
CID 5136606
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-benzyl-4-butoxy-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785964
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 3670156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 5126774) is N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide is CCCCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C)o2)cc1.
What is the InChIKey of N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is UMSSMVNJYNFDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-4-16-27-22-14-11-21(12-15-22)24(26)25(17-20-8-6-5-7-9-20)18-23-13-10-19(2)28-23/h5-15H,3-4,16-18H2,1-2H3.
What are the key properties of N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 377.48 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 5126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).