N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide

C18H20N2O3 — CID 46761865

IUPACN-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(23-17-10-5-4-6-11-17)18(22)19-15-8-7-9-16(12-15)20(3)14(2)21/h4-13H,1-3H3,(H,19,22)
InChIKeyDGXCQLHUKRWVKW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds5

About N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide

N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide (PubChem CID 46761865) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
PubChem CID46761865
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(23-17-10-5-4-6-11-17)18(22)19-15-8-7-9-16(12-15)20(3)14(2)21/h4-13H,1-3H3,(H,19,22)
InChIKeyDGXCQLHUKRWVKW-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 46761948
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide (CID 46761865) is N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide is CC(=O)N(C)c1cccc(NC(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide?
The InChIKey is DGXCQLHUKRWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(23-17-10-5-4-6-11-17)18(22)19-15-8-7-9-16(12-15)20(3)14(2)21/h4-13H,1-3H3,(H,19,22).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide?
N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 46761865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).