benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate

C25H24N2O4 — CID 4223105

IUPACbenzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-12-14-21(15-13-18)25(30)27-16-22(28)26-17-23(29)31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyYZNFYPCCQWMDJK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.17
Rot. Bonds8

About benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate

benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate (PubChem CID 4223105) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
PubChem CID4223105
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namebenzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-12-14-21(15-13-18)25(30)27-16-22(28)26-17-23(29)31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyYZNFYPCCQWMDJK-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 41020663
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate (CID 4223105) is benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate is Cc1ccc(C(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The InChIKey is YZNFYPCCQWMDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-12-14-21(15-13-18)25(30)27-16-22(28)26-17-23(29)31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3,(H,26,28)(H,27,30).
What are the key properties of benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate has a molecular weight of 416.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 4223105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).