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

C20H30N2O3 — CID 7711463

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-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-/m0/s1
InChIKeyMEPVYBZATADLMK-WMZOPIPTSA-N
MW346.47 g/mol
LogP3.46
Rot. Bonds3

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

N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide (PubChem CID 7711463) 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-[(1S)-1-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide
PubChem CID7711463
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-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-/m0/s1
InChIKeyMEPVYBZATADLMK-WMZOPIPTSA-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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Related Compounds

N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
CID 7711465
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide
CID 98231278
2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 83032817
1-(2,2-dimethyloxan-4-yl)-1-phenylhydrazine
CID 13449722
3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid
CID 649009
N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide
CID 113139084
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
N-(2,2-dimethyloxan-4-yl)-5-(4-methylpiperazin-1-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-7-amine
CID 3562734
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
CID 56896686
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
CID 97227101
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide (CID 7711463) is N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-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-[(1S)-1-phenylethyl]morpholine-4-carboxamide?
The InChIKey is MEPVYBZATADLMK-WMZOPIPTSA-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-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-1-phenylethyl]morpholine-4-carboxamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-N-[(1S)-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-[(1S)-1-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 7711463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).