N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide

C29H36N2O4 — CID 4550872

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCOC)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C29H36N2O4/c1-3-4-6-10-24-14-16-26(17-15-24)29(33)30(18-20-34-2)23-28(32)31(22-27-13-9-19-35-27)21-25-11-7-5-8-12-25/h5,7-9,11-17,19H,3-4,6,10,18,20-23H2,1-2H3
InChIKeyFPYFEZZQGVJURG-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.33
Rot. Bonds14

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide (PubChem CID 4550872) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
PubChem CID4550872
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCOC)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C29H36N2O4/c1-3-4-6-10-24-14-16-26(17-15-24)29(33)30(18-20-34-2)23-28(32)31(22-27-13-9-19-35-27)21-25-11-7-5-8-12-25/h5,7-9,11-17,19H,3-4,6,10,18,20-23H2,1-2H3
InChIKeyFPYFEZZQGVJURG-UHFFFAOYSA-N
XLogP5.33
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
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]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5055169
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 4011712
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide (CID 4550872) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(CCOC)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
The InChIKey is FPYFEZZQGVJURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-3-4-6-10-24-14-16-26(17-15-24)29(33)30(18-20-34-2)23-28(32)31(22-27-13-9-19-35-27)21-25-11-7-5-8-12-25/h5,7-9,11-17,19H,3-4,6,10,18,20-23H2,1-2H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide has a molecular weight of 476.62 g/mol, XLogP of 5.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide is sourced from PubChem (CID 4550872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).