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

C21H26N2O4 — CID 8530728

IUPACN-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H26N2O4/c1-3-26-17-8-10-18(11-9-17)27-15-14-22-20(24)12-13-23-21(25)19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYJVASXXMEXWRJS-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.71
Rot. Bonds10

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

N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 8530728) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID8530728
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H26N2O4/c1-3-26-17-8-10-18(11-9-17)27-15-14-22-20(24)12-13-23-21(25)19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYJVASXXMEXWRJS-UHFFFAOYSA-N
XLogP2.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.71
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

N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
CID 113060837
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32510530
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide (CID 8530728) is N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide is CCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is YJVASXXMEXWRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-26-17-8-10-18(11-9-17)27-15-14-22-20(24)12-13-23-21(25)19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 8530728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).