(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide

C19H23NO2 — CID 9239248

IUPAC(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(O[C@@H](C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)17-9-11-18(12-10-17)22-15(3)19(21)20-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyNNYMZMBIZDDSRY-HNNXBMFYSA-N
MW297.40 g/mol
LogP3.89
Rot. Bonds6

About (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide

(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 9239248) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID9239248
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(O[C@@H](C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)17-9-11-18(12-10-17)22-15(3)19(21)20-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyNNYMZMBIZDDSRY-HNNXBMFYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953845
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598174
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide (CID 9239248) is (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide is CC(C)c1ccc(O[C@@H](C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is NNYMZMBIZDDSRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)17-9-11-18(12-10-17)22-15(3)19(21)20-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide?
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 9239248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).