N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide

C23H44N2O2 — CID 146435794

IUPACN-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide
SMILESCCN(C(=O)C(C)(C)C)C(C)(C)CCC(C)(C)C(=O)N(C1CC1)C(C)(C)C
InChIInChI=1S/C23H44N2O2/c1-12-24(18(26)20(2,3)4)23(10,11)16-15-22(8,9)19(27)25(17-13-14-17)21(5,6)7/h17H,12-16H2,1-11H3
InChIKeyNPVMRXXFLDIPLN-UHFFFAOYSA-N
MW380.62 g/mol
LogP5.26
Rot. Bonds7

About N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide

N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide (PubChem CID 146435794) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide.

Molecular Properties

Compound NameN-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide
PubChem CID146435794
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC NameN-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide
SMILESCCN(C(=O)C(C)(C)C)C(C)(C)CCC(C)(C)C(=O)N(C1CC1)C(C)(C)C
InChIInChI=1S/C23H44N2O2/c1-12-24(18(26)20(2,3)4)23(10,11)16-15-22(8,9)19(27)25(17-13-14-17)21(5,6)7/h17H,12-16H2,1-11H3
InChIKeyNPVMRXXFLDIPLN-UHFFFAOYSA-N
XLogP5.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide?
The IUPAC name of N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide (CID 146435794) is N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide.
What is the SMILES notation for N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide?
The canonical SMILES for N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide is CCN(C(=O)C(C)(C)C)C(C)(C)CCC(C)(C)C(=O)N(C1CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide?
The InChIKey is NPVMRXXFLDIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-12-24(18(26)20(2,3)4)23(10,11)16-15-22(8,9)19(27)25(17-13-14-17)21(5,6)7/h17H,12-16H2,1-11H3.
What are the key properties of N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide?
N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide has a molecular weight of 380.62 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide is sourced from PubChem (CID 146435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).