N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide

C20H30N2O3 — CID 7711465

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
SMILESC[C@H](c1ccccc1)N(C(=O)N1CCOCC1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C20H30N2O3/c1-16(17-7-5-4-6-8-17)22(18-9-12-25-20(2,3)15-18)19(23)21-10-13-24-14-11-21/h4-8,16,18H,9-15H2,1-3H3/t16-,18+/m1/s1
InChIKeyMEPVYBZATADLMK-AEFFLSMTSA-N
MW346.47 g/mol
LogP3.46
Rot. Bonds3

About N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide

N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide (PubChem CID 7711465) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
PubChem CID7711465
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
SMILESC[C@H](c1ccccc1)N(C(=O)N1CCOCC1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C20H30N2O3/c1-16(17-7-5-4-6-8-17)22(18-9-12-25-20(2,3)15-18)19(23)21-10-13-24-14-11-21/h4-8,16,18H,9-15H2,1-3H3/t16-,18+/m1/s1
InChIKeyMEPVYBZATADLMK-AEFFLSMTSA-N
XLogP3.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide (CID 7711465) is N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide is C[C@H](c1ccccc1)N(C(=O)N1CCOCC1)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
The InChIKey is MEPVYBZATADLMK-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(17-7-5-4-6-8-17)22(18-9-12-25-20(2,3)15-18)19(23)21-10-13-24-14-11-21/h4-8,16,18H,9-15H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 7711465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).