2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide

C24H39ClN2O — CID 12612296

IUPAC2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide
SMILESCC(C)N(CCC(CCC1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C24H39ClN2O/c1-18(2)27(19(3)4)17-16-24(23(26)28,21-12-8-9-13-22(21)25)15-14-20-10-6-5-7-11-20/h8-9,12-13,18-20H,5-7,10-11,14-17H2,1-4H3,(H2,26,28)
InChIKeyIMTYKBDLKBJZKB-UHFFFAOYSA-N
MW407.04 g/mol
LogP5.93
Rot. Bonds10

About 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide

2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide (PubChem CID 12612296) has the molecular formula C24H39ClN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide
PubChem CID12612296
Molecular FormulaC24H39ClN2O
Molecular Weight407.04 g/mol
Exact Mass406.28
IUPAC Name2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide
SMILESCC(C)N(CCC(CCC1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C24H39ClN2O/c1-18(2)27(19(3)4)17-16-24(23(26)28,21-12-8-9-13-22(21)25)15-14-20-10-6-5-7-11-20/h8-9,12-13,18-20H,5-7,10-11,14-17H2,1-4H3,(H2,26,28)
InChIKeyIMTYKBDLKBJZKB-UHFFFAOYSA-N
XLogP5.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.04
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide (CID 12612296) is 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide is CC(C)N(CCC(CCC1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide?
The InChIKey is IMTYKBDLKBJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39ClN2O/c1-18(2)27(19(3)4)17-16-24(23(26)28,21-12-8-9-13-22(21)25)15-14-20-10-6-5-7-11-20/h8-9,12-13,18-20H,5-7,10-11,14-17H2,1-4H3,(H2,26,28).
What are the key properties of 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide?
2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide has a molecular weight of 407.04 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-cyclohexylethyl)-4-[di(propan-2-yl)amino]butanamide is sourced from PubChem (CID 12612296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).