N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide

C14H22N2O3 — CID 2027405

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc(=O)oc1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)8-7-15-14(18)12-5-6-13(17)19-9-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,18)
InChIKeyQXDRKQCQWBMPHX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.49
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide (PubChem CID 2027405) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide
PubChem CID2027405
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc(=O)oc1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)8-7-15-14(18)12-5-6-13(17)19-9-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,18)
InChIKeyQXDRKQCQWBMPHX-UHFFFAOYSA-N
XLogP1.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-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-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide (CID 2027405) is N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide is CC(C)N(CCNC(=O)c1ccc(=O)oc1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide?
The InChIKey is QXDRKQCQWBMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)8-7-15-14(18)12-5-6-13(17)19-9-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,18).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 2027405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).