N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide

C22H34Cl2N2O2 — CID 19816164

IUPACN-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide
SMILESCCN(CC)CCCC(O)(c1cc(Cl)c(NC(C)=O)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C22H34Cl2N2O2/c1-4-26(5-2)13-9-12-22(28,17-10-7-6-8-11-17)18-14-19(23)21(20(24)15-18)25-16(3)27/h14-15,17,28H,4-13H2,1-3H3,(H,25,27)
InChIKeyJIMFYDMUKLHVSK-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.84
Rot. Bonds9

About N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide

N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide (PubChem CID 19816164) has the molecular formula C22H34Cl2N2O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide
PubChem CID19816164
Molecular FormulaC22H34Cl2N2O2
Molecular Weight429.43 g/mol
Exact Mass428.20
IUPAC NameN-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide
SMILESCCN(CC)CCCC(O)(c1cc(Cl)c(NC(C)=O)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C22H34Cl2N2O2/c1-4-26(5-2)13-9-12-22(28,17-10-7-6-8-11-17)18-14-19(23)21(20(24)15-18)25-16(3)27/h14-15,17,28H,4-13H2,1-3H3,(H,25,27)
InChIKeyJIMFYDMUKLHVSK-UHFFFAOYSA-N
XLogP5.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide?
The IUPAC name of N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide (CID 19816164) is N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide.
What is the SMILES notation for N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide?
The canonical SMILES for N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide is CCN(CC)CCCC(O)(c1cc(Cl)c(NC(C)=O)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide?
The InChIKey is JIMFYDMUKLHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34Cl2N2O2/c1-4-26(5-2)13-9-12-22(28,17-10-7-6-8-11-17)18-14-19(23)21(20(24)15-18)25-16(3)27/h14-15,17,28H,4-13H2,1-3H3,(H,25,27).
What are the key properties of N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide?
N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide has a molecular weight of 429.43 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-[1-cyclohexyl-4-(diethylamino)-1-hydroxybutyl]phenyl]acetamide is sourced from PubChem (CID 19816164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).