2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide

C21H25N3O5 — CID 3240130

IUPAC2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1
InChIInChI=1S/C21H25N3O5/c1-14(25)22-13-19(26)24(2)20(15-5-9-17(28-3)10-6-15)21(27)23-16-7-11-18(29-4)12-8-16/h5-12,20H,13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyZNZKVPKZLVCBGE-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.98
Rot. Bonds8

About 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide

2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide (PubChem CID 3240130) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
PubChem CID3240130
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1
InChIInChI=1S/C21H25N3O5/c1-14(25)22-13-19(26)24(2)20(15-5-9-17(28-3)10-6-15)21(27)23-16-7-11-18(29-4)12-8-16/h5-12,20H,13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyZNZKVPKZLVCBGE-UHFFFAOYSA-N
XLogP1.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide (CID 3240130) is 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1.
What is the InChIKey of 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
The InChIKey is ZNZKVPKZLVCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14(25)22-13-19(26)24(2)20(15-5-9-17(28-3)10-6-15)21(27)23-16-7-11-18(29-4)12-8-16/h5-12,20H,13H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3240130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).