N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C18H24N2O3 — CID 96569045

IUPACN-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@H](NC(=O)C1=CCCCO1)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H24N2O3/c1-14(19-18(21)17-8-4-5-11-23-17)15-6-2-3-7-16(15)20-9-12-22-13-10-20/h2-3,6-8,14H,4-5,9-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyFIYQRDVVFVZKMU-AWEZNQCLSA-N
MW316.40 g/mol
LogP2.39
Rot. Bonds4

About N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 96569045) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID96569045
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@H](NC(=O)C1=CCCCO1)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H24N2O3/c1-14(19-18(21)17-8-4-5-11-23-17)15-6-2-3-7-16(15)20-9-12-22-13-10-20/h2-3,6-8,14H,4-5,9-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyFIYQRDVVFVZKMU-AWEZNQCLSA-N
XLogP2.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 820270
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 96569045) is N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is C[C@H](NC(=O)C1=CCCCO1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is FIYQRDVVFVZKMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(19-18(21)17-8-4-5-11-23-17)15-6-2-3-7-16(15)20-9-12-22-13-10-20/h2-3,6-8,14H,4-5,9-13H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 96569045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).