ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide

C14H30N2O2 — CID 144624880

IUPACethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide
SMILESCC.CC(C)CCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-10(2)4-5-11(3)13-12(15)14-6-8-16-9-7-14;1-2/h10-11H,4-9H2,1-3H3,(H,13,15);1-2H3
InChIKeyBATBFVYAPIVTJD-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.88
Rot. Bonds4

About ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide

ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide (PubChem CID 144624880) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide
PubChem CID144624880
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide
SMILESCC.CC(C)CCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-10(2)4-5-11(3)13-12(15)14-6-8-16-9-7-14;1-2/h10-11H,4-9H2,1-3H3,(H,13,15);1-2H3
InChIKeyBATBFVYAPIVTJD-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-(5-methylhexan-2-yl)morpholine-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 ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
The IUPAC name of ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide (CID 144624880) is ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide is CC.CC(C)CCC(C)NC(=O)N1CCOCC1.
What is the InChIKey of ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
The InChIKey is BATBFVYAPIVTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-10(2)4-5-11(3)13-12(15)14-6-8-16-9-7-14;1-2/h10-11H,4-9H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide has a molecular weight of 258.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-methylhexan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 144624880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).