2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide

C20H24N2O3 — CID 17204568

IUPAC2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-14(25-17-11-6-5-7-12-17)18(23)21-15-9-8-10-16(13-15)22-19(24)20(2,3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyFNWSYOCAPUEKQA-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.08
Rot. Bonds5

About 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide

2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide (PubChem CID 17204568) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
PubChem CID17204568
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-14(25-17-11-6-5-7-12-17)18(23)21-15-9-8-10-16(13-15)22-19(24)20(2,3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyFNWSYOCAPUEKQA-UHFFFAOYSA-N
XLogP4.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 17204655
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
CID 46761865
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide (CID 17204568) is 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide?
The InChIKey is FNWSYOCAPUEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(25-17-11-6-5-7-12-17)18(23)21-15-9-8-10-16(13-15)22-19(24)20(2,3)4/h5-14H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide?
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide has a molecular weight of 340.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide is sourced from PubChem (CID 17204568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).