(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide

C19H23NO3 — CID 40771480

IUPAC(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-13(2)22-17-10-8-16(9-11-17)20-19(21)15(4)23-18-7-5-6-14(3)12-18/h5-13,15H,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyWMPJGVGOWJHAOY-HNNXBMFYSA-N
MW313.40 g/mol
LogP4.19
Rot. Bonds6

About (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide

(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 40771480) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID40771480
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-13(2)22-17-10-8-16(9-11-17)20-19(21)15(4)23-18-7-5-6-14(3)12-18/h5-13,15H,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyWMPJGVGOWJHAOY-HNNXBMFYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide (CID 40771480) is (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is WMPJGVGOWJHAOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(2)22-17-10-8-16(9-11-17)20-19(21)15(4)23-18-7-5-6-14(3)12-18/h5-13,15H,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 40771480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).