N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide

C26H30N2O4 — CID 3978223

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)(C)C)c1
InChIInChI=1S/C26H30N2O4/c1-26(2,3)28(25(30)21-12-8-13-22(16-21)31-4)19-24(29)27(18-23-14-9-15-32-23)17-20-10-6-5-7-11-20/h5-16H,17-19H2,1-4H3
InChIKeyWFLXGLMOPVMJIZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.76
Rot. Bonds8

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide (PubChem CID 3978223) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide
PubChem CID3978223
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)(C)C)c1
InChIInChI=1S/C26H30N2O4/c1-26(2,3)28(25(30)21-12-8-13-22(16-21)31-4)19-24(29)27(18-23-14-9-15-32-23)17-20-10-6-5-7-11-20/h5-16H,17-19H2,1-4H3
InChIKeyWFLXGLMOPVMJIZ-UHFFFAOYSA-N
XLogP4.76
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 4189347
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
CID 5013111
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4574120
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4228728

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide (CID 3978223) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide is COc1cccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)(C)C)c1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide?
The InChIKey is WFLXGLMOPVMJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-26(2,3)28(25(30)21-12-8-13-22(16-21)31-4)19-24(29)27(18-23-14-9-15-32-23)17-20-10-6-5-7-11-20/h5-16H,17-19H2,1-4H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.76, 8 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-tert-butyl-3-methoxybenzamide is sourced from PubChem (CID 3978223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).