N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide

C15H25N3O2 — CID 115595323

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-11(12(19)18-14(2,3)4)17-13(20)15(10-16)8-6-5-7-9-15/h11H,5-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyXZWDETBWWAZNOY-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.88
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide (PubChem CID 115595323) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
PubChem CID115595323
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-11(12(19)18-14(2,3)4)17-13(20)15(10-16)8-6-5-7-9-15/h11H,5-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyXZWDETBWWAZNOY-UHFFFAOYSA-N
XLogP1.88
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide 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-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide (CID 115595323) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide is CC(NC(=O)C1(C#N)CCCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
The InChIKey is XZWDETBWWAZNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(12(19)18-14(2,3)4)17-13(20)15(10-16)8-6-5-7-9-15/h11H,5-9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 115595323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).