N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 8503993

IUPACN,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-16-7-13-19(14-8-16)26-15-20(24)22-18-11-9-17(10-12-18)21(25)23(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,22,24)
InChIKeyFUXDNBJZLKTNQS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds8

About N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide (PubChem CID 8503993) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
PubChem CID8503993
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-16-7-13-19(14-8-16)26-15-20(24)22-18-11-9-17(10-12-18)21(25)23(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,22,24)
InChIKeyFUXDNBJZLKTNQS-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide (CID 8503993) is N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide is CCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
The InChIKey is FUXDNBJZLKTNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-16-7-13-19(14-8-16)26-15-20(24)22-18-11-9-17(10-12-18)21(25)23(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,22,24).
What are the key properties of N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 8503993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).