N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C20H31N3O5 — CID 86796498

IUPACN-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCCN(CCN1CCOCC1)C(=O)C1=CCCCO1)C1=CCCCO1
InChIInChI=1S/C20H31N3O5/c24-19(17-5-1-3-13-27-17)21-7-8-23(10-9-22-11-15-26-16-12-22)20(25)18-6-2-4-14-28-18/h5-6H,1-4,7-16H2,(H,21,24)
InChIKeyHCVSDFNYHPRDKG-UHFFFAOYSA-N
MW393.48 g/mol
LogP0.65
Rot. Bonds8

About N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 86796498) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID86796498
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC NameN-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCCN(CCN1CCOCC1)C(=O)C1=CCCCO1)C1=CCCCO1
InChIInChI=1S/C20H31N3O5/c24-19(17-5-1-3-13-27-17)21-7-8-23(10-9-22-11-15-26-16-12-22)20(25)18-6-2-4-14-28-18/h5-6H,1-4,7-16H2,(H,21,24)
InChIKeyHCVSDFNYHPRDKG-UHFFFAOYSA-N
XLogP0.65
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 86796498) is N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCCN(CCN1CCOCC1)C(=O)C1=CCCCO1)C1=CCCCO1.
What is the InChIKey of N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HCVSDFNYHPRDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c24-19(17-5-1-3-13-27-17)21-7-8-23(10-9-22-11-15-26-16-12-22)20(25)18-6-2-4-14-28-18/h5-6H,1-4,7-16H2,(H,21,24).
What are the key properties of N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 86796498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).