N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide

C23H48N2O — CID 139493453

IUPACN,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide
SMILESCC(C)CN(C(C)C)C(C)CCC(C)(C)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H48N2O/c1-17(2)16-24(18(3)4)19(5)14-15-23(12,13)20(26)25(21(6,7)8)22(9,10)11/h17-19H,14-16H2,1-13H3
InChIKeyQWHKNJBOUDHTEZ-UHFFFAOYSA-N
MW368.65 g/mol
LogP5.97
Rot. Bonds8

About N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide

N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide (PubChem CID 139493453) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide.

Molecular Properties

Compound NameN,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide
PubChem CID139493453
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC NameN,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide
SMILESCC(C)CN(C(C)C)C(C)CCC(C)(C)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H48N2O/c1-17(2)16-24(18(3)4)19(5)14-15-23(12,13)20(26)25(21(6,7)8)22(9,10)11/h17-19H,14-16H2,1-13H3
InChIKeyQWHKNJBOUDHTEZ-UHFFFAOYSA-N
XLogP5.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide?
The IUPAC name of N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide (CID 139493453) is N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide.
What is the SMILES notation for N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide?
The canonical SMILES for N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide is CC(C)CN(C(C)C)C(C)CCC(C)(C)C(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide?
The InChIKey is QWHKNJBOUDHTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-17(2)16-24(18(3)4)19(5)14-15-23(12,13)20(26)25(21(6,7)8)22(9,10)11/h17-19H,14-16H2,1-13H3.
What are the key properties of N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide?
N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide has a molecular weight of 368.65 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]hexanamide is sourced from PubChem (CID 139493453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).