(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C21H25ClN2O3 — CID 39643721

IUPAC(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-16(27-20-5-3-2-4-19(20)22)21(25)23-14-17-6-8-18(9-7-17)15-24-10-12-26-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeySHGJPPJVMYLSSN-MRXNPFEDSA-N
MW388.90 g/mol
LogP3.26
Rot. Bonds7

About (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 39643721) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID39643721
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-16(27-20-5-3-2-4-19(20)22)21(25)23-14-17-6-8-18(9-7-17)15-24-10-12-26-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeySHGJPPJVMYLSSN-MRXNPFEDSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189350
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190446
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 39643721) is (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is SHGJPPJVMYLSSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-16(27-20-5-3-2-4-19(20)22)21(25)23-14-17-6-8-18(9-7-17)15-24-10-12-26-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 388.90 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 39643721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).