N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide

C26H31N3O3 — CID 3572087

IUPACN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)Nc2ccccc2)o1
InChIInChI=1S/C26H31N3O3/c1-20(2)16-29(26(31)27-23-12-8-5-9-13-23)19-25(30)28(17-22-10-6-4-7-11-22)18-24-15-14-21(3)32-24/h4-15,20H,16-19H2,1-3H3,(H,27,31)
InChIKeyZJVOLTSUMNZVDS-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.31
Rot. Bonds9

About N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide

N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide (PubChem CID 3572087) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide
PubChem CID3572087
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)Nc2ccccc2)o1
InChIInChI=1S/C26H31N3O3/c1-20(2)16-29(26(31)27-23-12-8-5-9-13-23)19-25(30)28(17-22-10-6-4-7-11-22)18-24-15-14-21(3)32-24/h4-15,20H,16-19H2,1-3H3,(H,27,31)
InChIKeyZJVOLTSUMNZVDS-UHFFFAOYSA-N
XLogP5.31
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4620328
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4082449
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 3670156
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 42773042
N-benzyl-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4188769
N-benzyl-2-[2-methoxyethyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3274981
4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3939552
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3465947
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide
CID 4302814
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 3616006
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide?
The IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide (CID 3572087) is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)Nc2ccccc2)o1.
What is the InChIKey of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide?
The InChIKey is ZJVOLTSUMNZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-20(2)16-29(26(31)27-23-12-8-5-9-13-23)19-25(30)28(17-22-10-6-4-7-11-22)18-24-15-14-21(3)32-24/h4-15,20H,16-19H2,1-3H3,(H,27,31).
What are the key properties of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide?
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide has a molecular weight of 433.55 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide is sourced from PubChem (CID 3572087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).