(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide

C16H21ClN2O3 — CID 97151706

IUPAC(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC=CCOc1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-3-6-21-14-5-4-12(7-13(14)17)9-19-8-11(2)22-15(10-19)16(18)20/h3-5,7,11,15H,1,6,8-10H2,2H3,(H2,18,20)/t11-,15-/m1/s1
InChIKeyVEPUVPFLEZLZPP-IAQYHMDHSA-N
MW324.81 g/mol
LogP1.98
Rot. Bonds6

About (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide

(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 97151706) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
PubChem CID97151706
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC=CCOc1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-3-6-21-14-5-4-12(7-13(14)17)9-19-8-11(2)22-15(10-19)16(18)20/h3-5,7,11,15H,1,6,8-10H2,2H3,(H2,18,20)/t11-,15-/m1/s1
InChIKeyVEPUVPFLEZLZPP-IAQYHMDHSA-N
XLogP1.98
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 124516000
2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 82052122
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301
2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
CID 135099507
1-[4-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 71927585
2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
CID 77097712
ethyl 1-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 70701245
2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide
CID 135108092
methyl 2-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]amino]acetate
CID 12796233
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
CID 56889989
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790134

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide (CID 97151706) is (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide is C=CCOc1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1Cl.
What is the InChIKey of (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is VEPUVPFLEZLZPP-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-6-21-14-5-4-12(7-13(14)17)9-19-8-11(2)22-15(10-19)16(18)20/h3-5,7,11,15H,1,6,8-10H2,2H3,(H2,18,20)/t11-,15-/m1/s1.
What are the key properties of (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97151706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).