(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

C21H26N2O4 — CID 120919539

IUPAC(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1OCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-15-20(22-10-11-26-15)21(24)23-13-17-8-9-18(19(12-17)25-2)27-14-16-6-4-3-5-7-16/h3-9,12,15,20,22H,10-11,13-14H2,1-2H3,(H,23,24)/t15-,20+/m1/s1
InChIKeyIEXORWMYLLXAQT-QRWLVFNGSA-N
MW370.45 g/mol
LogP2.27
Rot. Bonds7

About (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120919539) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120919539
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1OCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-15-20(22-10-11-26-15)21(24)23-13-17-8-9-18(19(12-17)25-2)27-14-16-6-4-3-5-7-16/h3-9,12,15,20,22H,10-11,13-14H2,1-2H3,(H,23,24)/t15-,20+/m1/s1
InChIKeyIEXORWMYLLXAQT-QRWLVFNGSA-N
XLogP2.27
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120935119
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931537
(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120925384
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
(2R,3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939999

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 120919539) is (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is COc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1OCc1ccccc1.
What is the InChIKey of (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is IEXORWMYLLXAQT-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-20(22-10-11-26-15)21(24)23-13-17-8-9-18(19(12-17)25-2)27-14-16-6-4-3-5-7-16/h3-9,12,15,20,22H,10-11,13-14H2,1-2H3,(H,23,24)/t15-,20+/m1/s1.
What are the key properties of (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120919539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).