N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide

C25H25N3O3 — CID 70682774

IUPACN-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
SMILESCN(C)Cc1cccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/C25H25N3O3/c1-26(2)16-18-8-7-11-21(14-18)27(3)24(29)17-28-22-15-20(19-9-5-4-6-10-19)12-13-23(22)31-25(28)30/h4-15H,16-17H2,1-3H3
InChIKeyJPCOPDQNIOHCQU-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.99
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide

N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide (PubChem CID 70682774) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
PubChem CID70682774
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
SMILESCN(C)Cc1cccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/C25H25N3O3/c1-26(2)16-18-8-7-11-21(14-18)27(3)24(29)17-28-22-15-20(19-9-5-4-6-10-19)12-13-23(22)31-25(28)30/h4-15H,16-17H2,1-3H3
InChIKeyJPCOPDQNIOHCQU-UHFFFAOYSA-N
XLogP3.99
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide (CID 70682774) is N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide is CN(C)Cc1cccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is JPCOPDQNIOHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-26(2)16-18-8-7-11-21(14-18)27(3)24(29)17-28-22-15-20(19-9-5-4-6-10-19)12-13-23(22)31-25(28)30/h4-15H,16-17H2,1-3H3.
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 70682774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).