(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide

C16H24N2O3 — CID 120924570

IUPAC(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
SMILESCc1ccc(OC(C)CNC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O3/c1-11-4-6-14(7-5-11)21-12(2)10-18-16(19)15-13(3)20-9-8-17-15/h4-7,12-13,15,17H,8-10H2,1-3H3,(H,18,19)/t12?,13-,15+/m1/s1
InChIKeyADDUKDVNKOBCKJ-RLSDIYDTSA-N
MW292.38 g/mol
LogP1.26
Rot. Bonds5

About (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide (PubChem CID 120924570) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
PubChem CID120924570
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
SMILESCc1ccc(OC(C)CNC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O3/c1-11-4-6-14(7-5-11)21-12(2)10-18-16(19)15-13(3)20-9-8-17-15/h4-7,12-13,15,17H,8-10H2,1-3H3,(H,18,19)/t12?,13-,15+/m1/s1
InChIKeyADDUKDVNKOBCKJ-RLSDIYDTSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925276
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 120939770
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide (CID 120924570) is (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide is Cc1ccc(OC(C)CNC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide?
The InChIKey is ADDUKDVNKOBCKJ-RLSDIYDTSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-4-6-14(7-5-11)21-12(2)10-18-16(19)15-13(3)20-9-8-17-15/h4-7,12-13,15,17H,8-10H2,1-3H3,(H,18,19)/t12?,13-,15+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 120924570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).