[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate

C23H27NO3 — CID 7749921

IUPAC[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-17-10-8-9-15-20(17)24-21(25)16-27-23(26)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22H,8-10,15-16H2,1H3,(H,24,25)/t17-,20-/m0/s1
InChIKeyCTCQMXPGHAPHAO-PXNSSMCTSA-N
MW365.47 g/mol
LogP4.06
Rot. Bonds6

About [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 7749921) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
PubChem CID7749921
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-17-10-8-9-15-20(17)24-21(25)16-27-23(26)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22H,8-10,15-16H2,1H3,(H,24,25)/t17-,20-/m0/s1
InChIKeyCTCQMXPGHAPHAO-PXNSSMCTSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate with MolForge

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9372400
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849280
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 11934989
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 11934185
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7470473
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate (CID 7749921) is [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate is C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is CTCQMXPGHAPHAO-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-10-8-9-15-20(17)24-21(25)16-27-23(26)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,20,22H,8-10,15-16H2,1H3,(H,24,25)/t17-,20-/m0/s1.
What are the key properties of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate?
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 365.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 7749921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).