N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide

C28H34N2O3 — CID 3690061

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)C)cc1
InChIInChI=1S/C28H34N2O3/c1-4-5-10-23-14-16-25(17-15-23)28(32)30(22(2)3)21-27(31)29(20-26-13-9-18-33-26)19-24-11-7-6-8-12-24/h6-9,11-18,22H,4-5,10,19-21H2,1-3H3
InChIKeyNZHRFNFBUDHSEO-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.70
Rot. Bonds11

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide (PubChem CID 3690061) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
PubChem CID3690061
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)C)cc1
InChIInChI=1S/C28H34N2O3/c1-4-5-10-23-14-16-25(17-15-23)28(32)30(22(2)3)21-27(31)29(20-26-13-9-18-33-26)19-24-11-7-6-8-12-24/h6-9,11-18,22H,4-5,10,19-21H2,1-3H3
InChIKeyNZHRFNFBUDHSEO-UHFFFAOYSA-N
XLogP5.70
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
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CID 4518534
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
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]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4574120
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 5169178
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
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]-4-butyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide (CID 3690061) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide is CCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)C)cc1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide?
The InChIKey is NZHRFNFBUDHSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-4-5-10-23-14-16-25(17-15-23)28(32)30(22(2)3)21-27(31)29(20-26-13-9-18-33-26)19-24-11-7-6-8-12-24/h6-9,11-18,22H,4-5,10,19-21H2,1-3H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide has a molecular weight of 446.59 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 3690061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).