N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide

C22H28N2O4 — CID 24552786

IUPACN-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCc1cccc(OCCCNC(=O)CNC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-16(2)28-19-10-8-18(9-11-19)22(26)24-15-21(25)23-12-5-13-27-20-7-4-6-17(3)14-20/h4,6-11,14,16H,5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYBGCRJBTFVAVBJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.10
Rot. Bonds10

About N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide

N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide (PubChem CID 24552786) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
PubChem CID24552786
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCc1cccc(OCCCNC(=O)CNC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-16(2)28-19-10-8-18(9-11-19)22(26)24-15-21(25)23-12-5-13-27-20-7-4-6-17(3)14-20/h4,6-11,14,16H,5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYBGCRJBTFVAVBJ-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.10
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

3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
CID 24533410
N-[2-(3-methylphenoxy)ethyl]-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501876
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide (CID 24552786) is N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide is Cc1cccc(OCCCNC(=O)CNC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The InChIKey is YBGCRJBTFVAVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)28-19-10-8-18(9-11-19)22(26)24-15-21(25)23-12-5-13-27-20-7-4-6-17(3)14-20/h4,6-11,14,16H,5,12-13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 24552786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).