(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide

C20H23NO3 — CID 40865849

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1
InChIInChI=1S/C20H23NO3/c1-5-11-23-18-8-6-7-17(13-18)21-20(22)16(4)24-19-12-14(2)9-10-15(19)3/h5-10,12-13,16H,1,11H2,2-4H3,(H,21,22)/t16-/m0/s1
InChIKeyAIARXQNZQVRSCI-INIZCTEOSA-N
MW325.41 g/mol
LogP4.27
Rot. Bonds7

About (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide

(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide (PubChem CID 40865849) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
PubChem CID40865849
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1
InChIInChI=1S/C20H23NO3/c1-5-11-23-18-8-6-7-17(13-18)21-20(22)16(4)24-19-12-14(2)9-10-15(19)3/h5-10,12-13,16H,1,11H2,2-4H3,(H,21,22)/t16-/m0/s1
InChIKeyAIARXQNZQVRSCI-INIZCTEOSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 99949902
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-(2,5-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133164632
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(3-prop-2-enoxyphenyl)pentanamide
CID 54783872
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92678107
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide (CID 40865849) is (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide is C=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The InChIKey is AIARXQNZQVRSCI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-11-23-18-8-6-7-17(13-18)21-20(22)16(4)24-19-12-14(2)9-10-15(19)3/h5-10,12-13,16H,1,11H2,2-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 40865849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).