3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide

C21H38N2O3 — CID 3071719

IUPAC3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide
SMILESO=C(CCC1CCCCC1)NCC(O)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C21H38N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h17-19,24H,1-16H2,(H,22,25)(H,23,26)
InChIKeyUXKSQHLEPOLTQS-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.30
Rot. Bonds10

About 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide

3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide (PubChem CID 3071719) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide
PubChem CID3071719
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Name3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide
SMILESO=C(CCC1CCCCC1)NCC(O)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C21H38N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h17-19,24H,1-16H2,(H,22,25)(H,23,26)
InChIKeyUXKSQHLEPOLTQS-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide (CID 3071719) is 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide is O=C(CCC1CCCCC1)NCC(O)CNC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide?
The InChIKey is UXKSQHLEPOLTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h17-19,24H,1-16H2,(H,22,25)(H,23,26).
What are the key properties of 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide?
3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide has a molecular weight of 366.55 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 3071719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).