N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide

C21H27N3O3 — CID 86919247

IUPACN-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)N(C)CCOc2ccc(C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-15-8-10-20(11-9-15)27-13-12-24(4)16(2)21(26)23-19-7-5-6-18(14-19)22-17(3)25/h5-11,14,16H,12-13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyDFIIIGHDKRWGST-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.29
Rot. Bonds8

About N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide

N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide (PubChem CID 86919247) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
PubChem CID86919247
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)N(C)CCOc2ccc(C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-15-8-10-20(11-9-15)27-13-12-24(4)16(2)21(26)23-19-7-5-6-18(14-19)22-17(3)25/h5-11,14,16H,12-13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyDFIIIGHDKRWGST-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
CID 98700243
N-(3-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 17444168
(2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 40918682
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147708

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide (CID 86919247) is N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide is CC(=O)Nc1cccc(NC(=O)C(C)N(C)CCOc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is DFIIIGHDKRWGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-8-10-20(11-9-15)27-13-12-24(4)16(2)21(26)23-19-7-5-6-18(14-19)22-17(3)25/h5-11,14,16H,12-13H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 369.47 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 86919247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).