benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate

C23H27NO4 — CID 91699838

IUPACbenzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(NC(C(=O)OCc1ccccc1)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C23H27NO4/c25-22(27-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)24-23(26)28-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,26)
InChIKeySVNTUHBJDOGOAL-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.61
Rot. Bonds7

About benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate

benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate (PubChem CID 91699838) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
PubChem CID91699838
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namebenzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(NC(C(=O)OCc1ccccc1)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C23H27NO4/c25-22(27-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)24-23(26)28-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,26)
InChIKeySVNTUHBJDOGOAL-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-((Phenylmethoxy)carbonyl)-L-phenylalanyl-L-phenylalanine
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Z-Phe-Leu-OH
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate (CID 91699838) is benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate is O=C(NC(C(=O)OCc1ccccc1)C1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is SVNTUHBJDOGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c25-22(27-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)24-23(26)28-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,26).
What are the key properties of benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate?
benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 381.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 91699838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).