[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C25H29NO4 — CID 7783066

IUPAC[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)C2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29NO4/c1-17-8-12-19(13-9-17)23(28)24(20-14-10-18(2)11-15-20)30-22(27)16-26-25(29)21-6-4-3-5-7-21/h8-15,21,24H,3-7,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyRVJAEBYBXGYVCY-DEOSSOPVSA-N
MW407.51 g/mol
LogP4.47
Rot. Bonds7

About [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 7783066) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID7783066
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)C2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29NO4/c1-17-8-12-19(13-9-17)23(28)24(20-14-10-18(2)11-15-20)30-22(27)16-26-25(29)21-6-4-3-5-7-21/h8-15,21,24H,3-7,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyRVJAEBYBXGYVCY-DEOSSOPVSA-N
XLogP4.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727421
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetate
CID 42945150
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 7783066) is [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)C2CCCCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is RVJAEBYBXGYVCY-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29NO4/c1-17-8-12-19(13-9-17)23(28)24(20-14-10-18(2)11-15-20)30-22(27)16-26-25(29)21-6-4-3-5-7-21/h8-15,21,24H,3-7,16H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 407.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 7783066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).