N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide

C21H26N2O4 — CID 55950792

IUPACN-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C21H26N2O4/c1-14-5-6-18(19(12-14)27-8-7-26-4)23-20(24)13-22-21(25)17-10-15(2)9-16(3)11-17/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKXEPQIOXEKUGIH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.01
Rot. Bonds8

About N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 55950792) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID55950792
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C21H26N2O4/c1-14-5-6-18(19(12-14)27-8-7-26-4)23-20(24)13-22-21(25)17-10-15(2)9-16(3)11-17/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKXEPQIOXEKUGIH-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.01
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

4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161280
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 55950792) is N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide is COCCOc1cc(C)ccc1NC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is KXEPQIOXEKUGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-5-6-18(19(12-14)27-8-7-26-4)23-20(24)13-22-21(25)17-10-15(2)9-16(3)11-17/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 55950792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).