(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide

C20H25NO3 — CID 38013113

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C20H25NO3/c1-13(2)23-18-10-7-9-17(12-18)21-20(22)16(5)24-19-11-6-8-14(3)15(19)4/h6-13,16H,1-5H3,(H,21,22)/t16-/m0/s1
InChIKeyKEOQDFIBDDKMFS-INIZCTEOSA-N
MW327.42 g/mol
LogP4.50
Rot. Bonds6

About (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide (PubChem CID 38013113) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
PubChem CID38013113
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C20H25NO3/c1-13(2)23-18-10-7-9-17(12-18)21-20(22)16(5)24-19-11-6-8-14(3)15(19)4/h6-13,16H,1-5H3,(H,21,22)/t16-/m0/s1
InChIKeyKEOQDFIBDDKMFS-INIZCTEOSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92678107
dimethyl 5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzene-1,3-dicarboxylate
CID 28982159
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide (CID 38013113) is (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
The InChIKey is KEOQDFIBDDKMFS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)23-18-10-7-9-17(12-18)21-20(22)16(5)24-19-11-6-8-14(3)15(19)4/h6-13,16H,1-5H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.50, 6 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-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 38013113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).