N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide

C19H22N2O3 — CID 51140359

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13-8-7-9-14(2)18(13)21-17(22)12-20-19(23)15(3)24-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAKWAIFIXLYWEPO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide (PubChem CID 51140359) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
PubChem CID51140359
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13-8-7-9-14(2)18(13)21-17(22)12-20-19(23)15(3)24-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAKWAIFIXLYWEPO-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 84602183
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 8021477
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
N-ethyl-2-phenoxypropanamide
CID 4282518
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)sulfanylpropanamide
CID 60561702
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide (CID 51140359) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide is Cc1cccc(C)c1NC(=O)CNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide?
The InChIKey is AKWAIFIXLYWEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-8-7-9-14(2)18(13)21-17(22)12-20-19(23)15(3)24-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide is sourced from PubChem (CID 51140359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).