N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide

C20H24N2O3 — CID 18104430

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-8-10-17(11-9-14)21-19(23)13-22(4)20(24)16(3)25-18-7-5-6-15(2)12-18/h5-12,16H,13H2,1-4H3,(H,21,23)
InChIKeyLUYILCUKJXJRBC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.17
Rot. Bonds6

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 18104430) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
PubChem CID18104430
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-8-10-17(11-9-14)21-19(23)13-22(4)20(24)16(3)25-18-7-5-6-15(2)12-18/h5-12,16H,13H2,1-4H3,(H,21,23)
InChIKeyLUYILCUKJXJRBC-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115506
(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 8960446
(2S)-2-amino-N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119265149
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55792767
[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387017
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide (CID 18104430) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide is Cc1ccc(NC(=O)CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is LUYILCUKJXJRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-10-17(11-9-14)21-19(23)13-22(4)20(24)16(3)25-18-7-5-6-15(2)12-18/h5-12,16H,13H2,1-4H3,(H,21,23).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 18104430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).