3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide

C19H22N2O3 — CID 51241490

IUPAC3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-15-7-5-8-16(13-15)19(23)21-14-18(22)20-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)(H,21,23)
InChIKeyAFJMWFBMDVKFFO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.31
Rot. Bonds8

About 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide

3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide (PubChem CID 51241490) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
PubChem CID51241490
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-15-7-5-8-16(13-15)19(23)21-14-18(22)20-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)(H,21,23)
InChIKeyAFJMWFBMDVKFFO-UHFFFAOYSA-N
XLogP2.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[3-[4-(4-chlorophenoxy)butylamino]-3-oxopropyl]-3-methylbenzamide
CID 18209020
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide (CID 51241490) is 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)NCCCOc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide?
The InChIKey is AFJMWFBMDVKFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-7-5-8-16(13-15)19(23)21-14-18(22)20-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide?
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide is sourced from PubChem (CID 51241490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).