2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

C26H29N3O2 — CID 9262014

IUPAC2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H29N3O2/c1-19-11-10-16-23(20(19)2)27-24(30)17-29(3)18-25(31)28-26(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-16,26H,17-18H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyHFPKFIFLLRIQAL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.08
Rot. Bonds8

About 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9262014) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9262014
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H29N3O2/c1-19-11-10-16-23(20(19)2)27-24(30)17-29(3)18-25(31)28-26(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-16,26H,17-18H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyHFPKFIFLLRIQAL-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 9262014) is 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is HFPKFIFLLRIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-11-10-16-23(20(19)2)27-24(30)17-29(3)18-25(31)28-26(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-16,26H,17-18H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9262014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).