N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide

C18H26N2O3 — CID 126776750

IUPACN-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(NC1CCOCC1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c21-18(19-16-8-11-22-12-9-16)20-10-13-23-17(14-20)7-6-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,19,21)
InChIKeyDHRMXYCHKTYUGA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.21
Rot. Bonds4

About N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide

N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 126776750) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID126776750
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(NC1CCOCC1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c21-18(19-16-8-11-22-12-9-16)20-10-13-23-17(14-20)7-6-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,19,21)
InChIKeyDHRMXYCHKTYUGA-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 110740938
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082
(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 97353311

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide (CID 126776750) is N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide is O=C(NC1CCOCC1)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is DHRMXYCHKTYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(19-16-8-11-22-12-9-16)20-10-13-23-17(14-20)7-6-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,19,21).
What are the key properties of N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide?
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 126776750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).