N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide

C23H28N2O4 — CID 84602183

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-15-6-5-7-16(2)22(15)25-21(27)14-24-23(28)18(4)29-20-12-10-19(11-13-20)9-8-17(3)26/h5-7,10-13,18H,8-9,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLOIHCKBVICVYRL-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.35
Rot. Bonds9

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide (PubChem CID 84602183) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide
PubChem CID84602183
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-15-6-5-7-16(2)22(15)25-21(27)14-24-23(28)18(4)29-20-12-10-19(11-13-20)9-8-17(3)26/h5-7,10-13,18H,8-9,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLOIHCKBVICVYRL-UHFFFAOYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069
N-(2,6-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845330
(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 28825316
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 29407800
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 8021477
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 9038911
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 78767064
N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 42904100

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide (CID 84602183) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide is CC(=O)CCc1ccc(OC(C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide?
The InChIKey is LOIHCKBVICVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15-6-5-7-16(2)22(15)25-21(27)14-24-23(28)18(4)29-20-12-10-19(11-13-20)9-8-17(3)26/h5-7,10-13,18H,8-9,14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide is sourced from PubChem (CID 84602183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).