N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide

C21H26N2O4 — CID 55996557

IUPACN,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(OCCOC)c2)c1
InChIInChI=1S/C21H26N2O4/c1-4-23(5-2)21(25)17-9-6-10-18(14-17)22-20(24)16-8-7-11-19(15-16)27-13-12-26-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyZPTMGPAKMRSUSI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.45
Rot. Bonds9

About N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide

N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide (PubChem CID 55996557) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
PubChem CID55996557
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(OCCOC)c2)c1
InChIInChI=1S/C21H26N2O4/c1-4-23(5-2)21(25)17-9-6-10-18(14-17)22-20(24)16-8-7-11-19(15-16)27-13-12-26-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyZPTMGPAKMRSUSI-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17222007
N,N-diethyl-3-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17194936
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide (CID 55996557) is N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(OCCOC)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is ZPTMGPAKMRSUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-23(5-2)21(25)17-9-6-10-18(14-17)22-20(24)16-8-7-11-19(15-16)27-13-12-26-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide?
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 55996557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).