N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide

C15H22N2O3 — CID 111719911

IUPACN-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCCC(O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-17-9-10-20-14(11-17)15(19)16-8-7-13(18)12-5-3-2-4-6-12/h2-6,13-14,18H,7-11H2,1H3,(H,16,19)
InChIKeyAOHLNPAKJIUYJR-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.56
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide

N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide (PubChem CID 111719911) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
PubChem CID111719911
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCCC(O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-17-9-10-20-14(11-17)15(19)16-8-7-13(18)12-5-3-2-4-6-12/h2-6,13-14,18H,7-11H2,1H3,(H,16,19)
InChIKeyAOHLNPAKJIUYJR-UHFFFAOYSA-N
XLogP0.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
3-methoxy-4-[2-[(4-methylmorpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 138029125
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
CID 111471638
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
methyl 2-[(4-methylmorpholine-2-carbonyl)amino]acetate
CID 123485121
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
CID 96784696

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide (CID 111719911) is N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NCCC(O)c2ccccc2)C1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is AOHLNPAKJIUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-9-10-20-14(11-17)15(19)16-8-7-13(18)12-5-3-2-4-6-12/h2-6,13-14,18H,7-11H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 111719911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).