(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C19H22ClNO5 — CID 41261490

IUPAC(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C19H22ClNO5/c1-12(26-15-7-5-6-14(20)10-15)19(22)21-11-13-8-16(23-2)18(25-4)17(9-13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1
InChIKeyMLOQYLSBOILIQY-GFCCVEGCSA-N
MW379.84 g/mol
LogP3.45
Rot. Bonds8

About (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 41261490) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID41261490
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C19H22ClNO5/c1-12(26-15-7-5-6-14(20)10-15)19(22)21-11-13-8-16(23-2)18(25-4)17(9-13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1
InChIKeyMLOQYLSBOILIQY-GFCCVEGCSA-N
XLogP3.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 41261490) is (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is MLOQYLSBOILIQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-12(26-15-7-5-6-14(20)10-15)19(22)21-11-13-8-16(23-2)18(25-4)17(9-13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 379.84 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 41261490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).