2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide

C28H32N2O4 — CID 4932214

IUPAC2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccccc1NC(=O)C(CC)Oc1ccccc1C
InChIInChI=1S/C28H32N2O4/c1-5-23(33-25-17-11-7-13-19(25)3)27(31)29-21-15-9-10-16-22(21)30-28(32)24(6-2)34-26-18-12-8-14-20(26)4/h7-18,23-24H,5-6H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyBETZBGKUCSGZSU-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.90
Rot. Bonds10

About 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide

2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide (PubChem CID 4932214) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
PubChem CID4932214
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccccc1NC(=O)C(CC)Oc1ccccc1C
InChIInChI=1S/C28H32N2O4/c1-5-23(33-25-17-11-7-13-19(25)3)27(31)29-21-15-9-10-16-22(21)30-28(32)24(6-2)34-26-18-12-8-14-20(26)4/h7-18,23-24H,5-6H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyBETZBGKUCSGZSU-UHFFFAOYSA-N
XLogP5.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 46760567
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
methyl 4-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzoate
CID 43916305
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 17150336
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide (CID 4932214) is 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccccc1NC(=O)C(CC)Oc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide?
The InChIKey is BETZBGKUCSGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-5-23(33-25-17-11-7-13-19(25)3)27(31)29-21-15-9-10-16-22(21)30-28(32)24(6-2)34-26-18-12-8-14-20(26)4/h7-18,23-24H,5-6H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide?
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide has a molecular weight of 460.57 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide is sourced from PubChem (CID 4932214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).