2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide

C23H31N3O3 — CID 86918944

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C23H31N3O3/c1-16-8-6-10-20(14-16)29-13-12-24-23(28)19(4)26(5)15-22(27)25-21-11-7-9-17(2)18(21)3/h6-11,14,19H,12-13,15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyXAUQMBSKAOEWHI-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.07
Rot. Bonds9

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 86918944) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID86918944
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C23H31N3O3/c1-16-8-6-10-20(14-16)29-13-12-24-23(28)19(4)26(5)15-22(27)25-21-11-7-9-17(2)18(21)3/h6-11,14,19H,12-13,15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyXAUQMBSKAOEWHI-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 111750443
N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 55432537
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34068567
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 55533625

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 86918944) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)C(C)N(C)CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is XAUQMBSKAOEWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-8-6-10-20(14-16)29-13-12-24-23(28)19(4)26(5)15-22(27)25-21-11-7-9-17(2)18(21)3/h6-11,14,19H,12-13,15H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 86918944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).