2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C25H29N3O4 — CID 24507737

IUPAC2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cc(C)cc(OCCN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H29N3O4/c1-18-13-19(2)15-21(14-18)32-12-10-28(3)17-24(29)27-23-9-5-4-8-22(23)25(30)26-16-20-7-6-11-31-20/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyRKHWZAHHVDHBBD-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.78
Rot. Bonds10

About 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 24507737) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID24507737
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cc(C)cc(OCCN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H29N3O4/c1-18-13-19(2)15-21(14-18)32-12-10-28(3)17-24(29)27-23-9-5-4-8-22(23)25(30)26-16-20-7-6-11-31-20/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyRKHWZAHHVDHBBD-UHFFFAOYSA-N
XLogP3.78
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 24507737) is 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is Cc1cc(C)cc(OCCN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RKHWZAHHVDHBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18-13-19(2)15-21(14-18)32-12-10-28(3)17-24(29)27-23-9-5-4-8-22(23)25(30)26-16-20-7-6-11-31-20/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 435.52 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 24507737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).