N,N-ditert-butylmorpholine-4-carboxamide

C13H26N2O2 — CID 59614220

IUPACN,N-ditert-butylmorpholine-4-carboxamide
SMILESCC(C)(C)N(C(=O)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15(13(4,5)6)11(16)14-7-9-17-10-8-14/h7-10H2,1-6H3
InChIKeyISYQQYCURFIFNC-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.34
Rot. Bonds

About N,N-ditert-butylmorpholine-4-carboxamide

N,N-ditert-butylmorpholine-4-carboxamide (PubChem CID 59614220) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,N-ditert-butylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN,N-ditert-butylmorpholine-4-carboxamide
PubChem CID59614220
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,N-ditert-butylmorpholine-4-carboxamide
SMILESCC(C)(C)N(C(=O)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15(13(4,5)6)11(16)14-7-9-17-10-8-14/h7-10H2,1-6H3
InChIKeyISYQQYCURFIFNC-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-ditert-butylmorpholine-4-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,N-ditert-butylmorpholine-4-carboxamide?
The IUPAC name of N,N-ditert-butylmorpholine-4-carboxamide (CID 59614220) is N,N-ditert-butylmorpholine-4-carboxamide.
What is the SMILES notation for N,N-ditert-butylmorpholine-4-carboxamide?
The canonical SMILES for N,N-ditert-butylmorpholine-4-carboxamide is CC(C)(C)N(C(=O)N1CCOCC1)C(C)(C)C.
What is the InChIKey of N,N-ditert-butylmorpholine-4-carboxamide?
The InChIKey is ISYQQYCURFIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)15(13(4,5)6)11(16)14-7-9-17-10-8-14/h7-10H2,1-6H3.
What are the key properties of N,N-ditert-butylmorpholine-4-carboxamide?
N,N-ditert-butylmorpholine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butylmorpholine-4-carboxamide is sourced from PubChem (CID 59614220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).