N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide

C26H31N3O4 — CID 5034332

IUPACN-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C26H31N3O4/c1-32-16-9-15-28(26(31)27-18-22-10-4-2-5-11-22)21-25(30)29(20-24-14-8-17-33-24)19-23-12-6-3-7-13-23/h2-8,10-14,17H,9,15-16,18-21H2,1H3,(H,27,31)
InChIKeyPBWWPSPXVCHJTL-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.06
Rot. Bonds12

About N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5034332) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID5034332
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C26H31N3O4/c1-32-16-9-15-28(26(31)27-18-22-10-4-2-5-11-22)21-25(30)29(20-24-14-8-17-33-24)19-23-12-6-3-7-13-23/h2-8,10-14,17H,9,15-16,18-21H2,1H3,(H,27,31)
InChIKeyPBWWPSPXVCHJTL-UHFFFAOYSA-N
XLogP4.06
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4518262
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 5166760
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
N-benzyl-2-[ethylcarbamoyl(propyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4606428
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 4550872
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 3999522

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 5034332) is N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide is COCCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PBWWPSPXVCHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-32-16-9-15-28(26(31)27-18-22-10-4-2-5-11-22)21-25(30)29(20-24-14-8-17-33-24)19-23-12-6-3-7-13-23/h2-8,10-14,17H,9,15-16,18-21H2,1H3,(H,27,31).
What are the key properties of N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5034332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).