(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide

C15H21ClN2O2 — CID 99857105

IUPAC(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(C[C@H](C)c2cccc(Cl)c2)C[C@@H](C(N)=O)O1
InChIInChI=1S/C15H21ClN2O2/c1-10(12-4-3-5-13(16)6-12)7-18-8-11(2)20-14(9-18)15(17)19/h3-6,10-11,14H,7-9H2,1-2H3,(H2,17,19)/t10-,11+,14-/m0/s1
InChIKeyXLHGBTHHNOJSSH-WDMOLILDSA-N
MW296.80 g/mol
LogP2.02
Rot. Bonds4

About (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide

(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide (PubChem CID 99857105) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
PubChem CID99857105
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(C[C@H](C)c2cccc(Cl)c2)C[C@@H](C(N)=O)O1
InChIInChI=1S/C15H21ClN2O2/c1-10(12-4-3-5-13(16)6-12)7-18-8-11(2)20-14(9-18)15(17)19/h3-6,10-11,14H,7-9H2,1-2H3,(H2,17,19)/t10-,11+,14-/m0/s1
InChIKeyXLHGBTHHNOJSSH-WDMOLILDSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 84594008
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 12033344
methyl (2S,4S)-1-[2-(3-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxylate
CID 102554138
3-(3-chlorophenyl)butanoic acid
CID 71683749
[4-[2-amino-1-(3-chlorophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932163
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899220

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide (CID 99857105) is (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(C[C@H](C)c2cccc(Cl)c2)C[C@@H](C(N)=O)O1.
What is the InChIKey of (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is XLHGBTHHNOJSSH-WDMOLILDSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(12-4-3-5-13(16)6-12)7-18-8-11(2)20-14(9-18)15(17)19/h3-6,10-11,14H,7-9H2,1-2H3,(H2,17,19)/t10-,11+,14-/m0/s1.
What are the key properties of (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide?
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 99857105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).