N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide

C20H36N2O2S — CID 59129823

IUPACN-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide
SMILESCN(C(=O)CCSCCC(=O)N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2O2S/c1-21(17-9-5-3-6-10-17)19(23)13-15-25-16-14-20(24)22(2)18-11-7-4-8-12-18/h17-18H,3-16H2,1-2H3
InChIKeyDRBOYDIGTFHMKU-UHFFFAOYSA-N
MW368.59 g/mol
LogP4.08
Rot. Bonds8

About N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide

N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide (PubChem CID 59129823) has the molecular formula C20H36N2O2S and a molecular weight of 368.59 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide
PubChem CID59129823
Molecular FormulaC20H36N2O2S
Molecular Weight368.59 g/mol
Exact Mass368.25
IUPAC NameN-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide
SMILESCN(C(=O)CCSCCC(=O)N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2O2S/c1-21(17-9-5-3-6-10-17)19(23)13-15-25-16-14-20(24)22(2)18-11-7-4-8-12-18/h17-18H,3-16H2,1-2H3
InChIKeyDRBOYDIGTFHMKU-UHFFFAOYSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide (CID 59129823) is N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide is CN(C(=O)CCSCCC(=O)N(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide?
The InChIKey is DRBOYDIGTFHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2S/c1-21(17-9-5-3-6-10-17)19(23)13-15-25-16-14-20(24)22(2)18-11-7-4-8-12-18/h17-18H,3-16H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide?
N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide has a molecular weight of 368.59 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]sulfanyl-N-methylpropanamide is sourced from PubChem (CID 59129823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).