ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate

C23H27NO3 — CID 60556789

IUPACethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C23H27NO3/c1-2-27-22(26)23(16-10-5-11-17-23)24-21(25)20(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15,20H,2,5,10-11,16-17H2,1H3,(H,24,25)
InChIKeySIHOZHSKQYEOMT-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.20
Rot. Bonds6

About ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate

ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate (PubChem CID 60556789) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate
PubChem CID60556789
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C23H27NO3/c1-2-27-22(26)23(16-10-5-11-17-23)24-21(25)20(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15,20H,2,5,10-11,16-17H2,1H3,(H,24,25)
InChIKeySIHOZHSKQYEOMT-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63524439
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CID 119701267
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CID 152760490
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CID 55767996
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CID 55992202
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CID 78830716
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
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1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
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1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
CID 111432652
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate (CID 60556789) is ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate?
The InChIKey is SIHOZHSKQYEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-2-27-22(26)23(16-10-5-11-17-23)24-21(25)20(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15,20H,2,5,10-11,16-17H2,1H3,(H,24,25).
What are the key properties of ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate?
ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 60556789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).