N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide

C22H28N2O4 — CID 17197044

IUPACN-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)c2ccccc2OCCOCC)c1
InChIInChI=1S/C22H28N2O4/c1-3-5-13-23-21(25)17-9-8-10-18(16-17)24-22(26)19-11-6-7-12-20(19)28-15-14-27-4-2/h6-12,16H,3-5,13-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXYFSSEWIWILISA-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.88
Rot. Bonds11

About N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide

N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide (PubChem CID 17197044) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
PubChem CID17197044
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)c2ccccc2OCCOCC)c1
InChIInChI=1S/C22H28N2O4/c1-3-5-13-23-21(25)17-9-8-10-18(16-17)24-22(26)19-11-6-7-12-20(19)28-15-14-27-4-2/h6-12,16H,3-5,13-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXYFSSEWIWILISA-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.88
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

2-(2-ethoxyethoxy)-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17200047
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17197260
2-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
N-butyl-3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17197307

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide (CID 17197044) is N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide is CCCCNC(=O)c1cccc(NC(=O)c2ccccc2OCCOCC)c1.
What is the InChIKey of N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide?
The InChIKey is XYFSSEWIWILISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-5-13-23-21(25)17-9-8-10-18(16-17)24-22(26)19-11-6-7-12-20(19)28-15-14-27-4-2/h6-12,16H,3-5,13-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide?
N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17197044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).