N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide

C31H40N2O4 — CID 3896391

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
SMILESCCCCCCc1ccc(C(=O)N(CCCOC)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C31H40N2O4/c1-3-4-5-7-12-26-16-18-28(19-17-26)31(35)32(20-11-21-36-2)25-30(34)33(24-29-15-10-22-37-29)23-27-13-8-6-9-14-27/h6,8-10,13-19,22H,3-5,7,11-12,20-21,23-25H2,1-2H3
InChIKeyXKTFMOQTUIEGJP-UHFFFAOYSA-N
MW504.67 g/mol
LogP6.11
Rot. Bonds16

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide (PubChem CID 3896391) has the molecular formula C31H40N2O4 and a molecular weight of 504.67 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
PubChem CID3896391
Molecular FormulaC31H40N2O4
Molecular Weight504.67 g/mol
Exact Mass504.30
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
SMILESCCCCCCc1ccc(C(=O)N(CCCOC)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C31H40N2O4/c1-3-4-5-7-12-26-16-18-28(19-17-26)31(35)32(20-11-21-36-2)25-30(34)33(24-29-15-10-22-37-29)23-27-13-8-6-9-14-27/h6,8-10,13-19,22H,3-5,7,11-12,20-21,23-25H2,1-2H3
InChIKeyXKTFMOQTUIEGJP-UHFFFAOYSA-N
XLogP6.11
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.11
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]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 4550872
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-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4518262
N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5034332
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
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]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
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-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide (CID 3896391) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide is CCCCCCc1ccc(C(=O)N(CCCOC)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide?
The InChIKey is XKTFMOQTUIEGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O4/c1-3-4-5-7-12-26-16-18-28(19-17-26)31(35)32(20-11-21-36-2)25-30(34)33(24-29-15-10-22-37-29)23-27-13-8-6-9-14-27/h6,8-10,13-19,22H,3-5,7,11-12,20-21,23-25H2,1-2H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide has a molecular weight of 504.67 g/mol, XLogP of 6.11, 16 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]-4-hexyl-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 3896391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).