(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide

C21H27NO3 — CID 28572831

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
SMILESCOc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)c1
InChIInChI=1S/C21H27NO3/c1-15-8-5-12-20(16(15)2)25-17(3)21(23)22-13-7-10-18-9-6-11-19(14-18)24-4/h5-6,8-9,11-12,14,17H,7,10,13H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyJXXJFEQCXIQPCG-KRWDZBQOSA-N
MW341.45 g/mol
LogP3.83
Rot. Bonds8

About (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide (PubChem CID 28572831) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
PubChem CID28572831
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
SMILESCOc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)c1
InChIInChI=1S/C21H27NO3/c1-15-8-5-12-20(16(15)2)25-17(3)21(23)22-13-7-10-18-9-6-11-19(14-18)24-4/h5-6,8-9,11-12,14,17H,7,10,13H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyJXXJFEQCXIQPCG-KRWDZBQOSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99952145
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 132659559
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide (CID 28572831) is (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide is COc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)c1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
The InChIKey is JXXJFEQCXIQPCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15-8-5-12-20(16(15)2)25-17(3)21(23)22-13-7-10-18-9-6-11-19(14-18)24-4/h5-6,8-9,11-12,14,17H,7,10,13H2,1-4H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 28572831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).