N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide

C21H26N2O4 — CID 17150336

IUPACN-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCOC
InChIInChI=1S/C21H26N2O4/c1-4-18(27-19-12-8-5-9-15(19)2)21(25)23-17-11-7-6-10-16(17)20(24)22-13-14-26-3/h5-12,18H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFRDPMCDBQLHHDS-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.17
Rot. Bonds9

About N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide

N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide (PubChem CID 17150336) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
PubChem CID17150336
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCOC
InChIInChI=1S/C21H26N2O4/c1-4-18(27-19-12-8-5-9-15(19)2)21(25)23-17-11-7-6-10-16(17)20(24)22-13-14-26-3/h5-12,18H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFRDPMCDBQLHHDS-UHFFFAOYSA-N
XLogP3.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.17
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

2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
CID 38008825
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-prop-2-enylbenzamide
CID 94019550
N-(2-methoxyethyl)-2-[[(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100748404
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
CID 43909098
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide (CID 17150336) is N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide is CCC(Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide?
The InChIKey is FRDPMCDBQLHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-18(27-19-12-8-5-9-15(19)2)21(25)23-17-11-7-6-10-16(17)20(24)22-13-14-26-3/h5-12,18H,4,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide?
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 17150336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).