2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide

C24H41Cl2N3O — CID 12612283

IUPAC2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
SMILESCC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C24H41Cl2N3O/c1-16(2)28(17(3)4)14-12-24(23(27)30,13-15-29(18(5)6)19(7)8)22-20(25)10-9-11-21(22)26/h9-11,16-19H,12-15H2,1-8H3,(H2,27,30)
InChIKeyQJEXBGRNTMWDDF-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.73
Rot. Bonds12

About 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide

2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide (PubChem CID 12612283) has the molecular formula C24H41Cl2N3O and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
PubChem CID12612283
Molecular FormulaC24H41Cl2N3O
Molecular Weight458.52 g/mol
Exact Mass457.26
IUPAC Name2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
SMILESCC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C24H41Cl2N3O/c1-16(2)28(17(3)4)14-12-24(23(27)30,13-15-29(18(5)6)19(7)8)22-20(25)10-9-11-21(22)26/h9-11,16-19H,12-15H2,1-8H3,(H2,27,30)
InChIKeyQJEXBGRNTMWDDF-UHFFFAOYSA-N
XLogP5.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide (CID 12612283) is 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide is CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide?
The InChIKey is QJEXBGRNTMWDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41Cl2N3O/c1-16(2)28(17(3)4)14-12-24(23(27)30,13-15-29(18(5)6)19(7)8)22-20(25)10-9-11-21(22)26/h9-11,16-19H,12-15H2,1-8H3,(H2,27,30).
What are the key properties of 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide?
2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide has a molecular weight of 458.52 g/mol, XLogP of 5.73, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide is sourced from PubChem (CID 12612283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).