N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

C25H26N2O3 — CID 43887128

IUPACN-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17-12-13-18(2)23(14-17)30-19(3)24(28)27-22-11-7-10-21(15-22)25(29)26-16-20-8-5-4-6-9-20/h4-15,19H,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyDQEQIXUYVBYICJ-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.64
Rot. Bonds7

About N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 43887128) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
PubChem CID43887128
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17-12-13-18(2)23(14-17)30-19(3)24(28)27-22-11-7-10-21(15-22)25(29)26-16-20-8-5-4-6-9-20/h4-15,19H,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyDQEQIXUYVBYICJ-UHFFFAOYSA-N
XLogP4.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227809
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
2-(2,5-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133164632
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43877930
N-benzyl-4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4945000
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]carbamothioylamino]benzamide
CID 54784193
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709326
3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (CID 43887128) is N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is Cc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is DQEQIXUYVBYICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-12-13-18(2)23(14-17)30-19(3)24(28)27-22-11-7-10-21(15-22)25(29)26-16-20-8-5-4-6-9-20/h4-15,19H,16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43887128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).