N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide

C18H20N2O4 — CID 17139541

IUPACN-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H20N2O4/c1-2-23-10-11-24-16-5-3-4-14(12-16)18(22)20-15-8-6-13(7-9-15)17(19)21/h3-9,12H,2,10-11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyMFSLEMLLPODKGT-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.45
Rot. Bonds8

About N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide

N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide (PubChem CID 17139541) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
PubChem CID17139541
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H20N2O4/c1-2-23-10-11-24-16-5-3-4-14(12-16)18(22)20-15-8-6-13(7-9-15)17(19)21/h3-9,12H,2,10-11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyMFSLEMLLPODKGT-UHFFFAOYSA-N
XLogP2.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.45
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-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
CID 17139559
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide (CID 17139541) is N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide is CCOCCOc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide?
The InChIKey is MFSLEMLLPODKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-10-11-24-16-5-3-4-14(12-16)18(22)20-15-8-6-13(7-9-15)17(19)21/h3-9,12H,2,10-11H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide?
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17139541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).