cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C25H45NO3 — CID 171355867

IUPACcyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCCCCCCCCC1
InChIInChI=1S/C25H45NO3/c1-21(26-24(27)22-17-13-12-14-18-22)25(28)29-23-19-15-10-8-6-4-2-3-5-7-9-11-16-20-23/h21-23H,2-20H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyPQPZOXZPAGWURV-OAQYLSRUSA-N
MW407.64 g/mol
LogP6.46
Rot. Bonds4

About cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate

cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171355867) has the molecular formula C25H45NO3 and a molecular weight of 407.64 g/mol. Its IUPAC name is cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171355867
Molecular FormulaC25H45NO3
Molecular Weight407.64 g/mol
Exact Mass407.34
IUPAC Namecyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCCCCCCCCC1
InChIInChI=1S/C25H45NO3/c1-21(26-24(27)22-17-13-12-14-18-22)25(28)29-23-19-15-10-8-6-4-2-3-5-7-9-11-16-20-23/h21-23H,2-20H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyPQPZOXZPAGWURV-OAQYLSRUSA-N
XLogP6.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171355867) is cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCCCCCCCCC1.
What is the InChIKey of cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is PQPZOXZPAGWURV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H45NO3/c1-21(26-24(27)22-17-13-12-14-18-22)25(28)29-23-19-15-10-8-6-4-2-3-5-7-9-11-16-20-23/h21-23H,2-20H2,1H3,(H,26,27)/t21-/m1/s1.
What are the key properties of cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 407.64 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171355867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).