N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide

C18H28N2O3 — CID 4846679

IUPACN-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
SMILESCCCCCNC(=O)COc1ccc(C(=O)NCCCC)cc1
InChIInChI=1S/C18H28N2O3/c1-3-5-7-13-19-17(21)14-23-16-10-8-15(9-11-16)18(22)20-12-6-4-2/h8-11H,3-7,12-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWPMHCWXCDBRUPX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.90
Rot. Bonds11

About N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide

N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide (PubChem CID 4846679) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
PubChem CID4846679
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
SMILESCCCCCNC(=O)COc1ccc(C(=O)NCCCC)cc1
InChIInChI=1S/C18H28N2O3/c1-3-5-7-13-19-17(21)14-23-16-10-8-15(9-11-16)18(22)20-12-6-4-2/h8-11H,3-7,12-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWPMHCWXCDBRUPX-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-decyl-4-ethoxybenzamide
CID 4123784
N-butyl-4-propoxybenzamide
CID 17142951
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
CID 17195175
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-methoxy-N-pentylbenzamide
CID 3113360
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide?
The IUPAC name of N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide (CID 4846679) is N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide.
What is the SMILES notation for N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide?
The canonical SMILES for N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide is CCCCCNC(=O)COc1ccc(C(=O)NCCCC)cc1.
What is the InChIKey of N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide?
The InChIKey is WPMHCWXCDBRUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-5-7-13-19-17(21)14-23-16-10-8-15(9-11-16)18(22)20-12-6-4-2/h8-11H,3-7,12-14H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide?
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide is sourced from PubChem (CID 4846679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).