N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide

C17H26N2O3 — CID 95340867

IUPACN-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide
SMILESC[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-14(15(2)19-9-12-21-13-10-19)18-17(20)8-11-22-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyKYQUFAWROXLDGI-CABCVRRESA-N
MW306.41 g/mol
LogP1.68
Rot. Bonds7

About N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide

N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide (PubChem CID 95340867) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide
PubChem CID95340867
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide
SMILESC[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-14(15(2)19-9-12-21-13-10-19)18-17(20)8-11-22-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyKYQUFAWROXLDGI-CABCVRRESA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
CID 110349075
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
(2R)-2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 95901650
2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 71985237
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
CID 119878453
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide (CID 95340867) is N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide is C[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)N1CCOCC1.
What is the InChIKey of N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide?
The InChIKey is KYQUFAWROXLDGI-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(15(2)19-9-12-21-13-10-19)18-17(20)8-11-22-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,18,20)/t14-,15+/m1/s1.
What are the key properties of N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide?
N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 95340867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).