2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide

C21H26N2O4 — CID 60552955

IUPAC2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)22-21(25)18-10-5-6-11-19(18)23-20(24)15(3)27-13-16-8-7-9-17(12-16)26-4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyAUWBVVZRZYCFFG-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.38
Rot. Bonds8

About 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide

2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 60552955) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
PubChem CID60552955
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)22-21(25)18-10-5-6-11-19(18)23-20(24)15(3)27-13-16-8-7-9-17(12-16)26-4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyAUWBVVZRZYCFFG-UHFFFAOYSA-N
XLogP3.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide (CID 60552955) is 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide is COc1cccc(COC(C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is AUWBVVZRZYCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)22-21(25)18-10-5-6-11-19(18)23-20(24)15(3)27-13-16-8-7-9-17(12-16)26-4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide?
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60552955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).