N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide

C21H26N2O3 — CID 8531999

IUPACN-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-8-9-19(17(3)14-15)26-13-12-22-20(24)10-11-23-21(25)18-7-5-4-6-16(18)2/h4-9,14H,10-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySJVLQOOBCOUYIU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.93
Rot. Bonds8

About N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 8531999) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID8531999
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-8-9-19(17(3)14-15)26-13-12-22-20(24)10-11-23-21(25)18-7-5-4-6-16(18)2/h4-9,14H,10-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySJVLQOOBCOUYIU-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.93
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

N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531936
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide (CID 8531999) is N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide is Cc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is SJVLQOOBCOUYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-8-9-19(17(3)14-15)26-13-12-22-20(24)10-11-23-21(25)18-7-5-4-6-16(18)2/h4-9,14H,10-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 8531999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).