(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide

C16H24N2O3 — CID 120927464

IUPAC(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C16H24N2O3/c1-11-8-12(2)10-14(9-11)21-7-5-18-16(19)15-13(3)20-6-4-17-15/h8-10,13,15,17H,4-7H2,1-3H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyHUUAOHWRLUOKNC-HIFRSBDPSA-N
MW292.38 g/mol
LogP1.18
Rot. Bonds5

About (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120927464) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120927464
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C16H24N2O3/c1-11-8-12(2)10-14(9-11)21-7-5-18-16(19)15-13(3)20-6-4-17-15/h8-10,13,15,17H,4-7H2,1-3H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyHUUAOHWRLUOKNC-HIFRSBDPSA-N
XLogP1.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919449
(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120925919
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
CID 120942859
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide (CID 120927464) is (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide is Cc1cc(C)cc(OCCNC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is HUUAOHWRLUOKNC-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-8-12(2)10-14(9-11)21-7-5-18-16(19)15-13(3)20-6-4-17-15/h8-10,13,15,17H,4-7H2,1-3H3,(H,18,19)/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120927464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).