N-butyl-4-propoxybenzamide

C14H21NO2 — CID 17142951

IUPACN-butyl-4-propoxybenzamide
SMILESCCCCNC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-10-15-14(16)12-6-8-13(9-7-12)17-11-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyCZQSNMHCJGTIMS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds7

About N-butyl-4-propoxybenzamide

N-butyl-4-propoxybenzamide (PubChem CID 17142951) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-4-propoxybenzamide.

Molecular Properties

Compound NameN-butyl-4-propoxybenzamide
PubChem CID17142951
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butyl-4-propoxybenzamide
SMILESCCCCNC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-10-15-14(16)12-6-8-13(9-7-12)17-11-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyCZQSNMHCJGTIMS-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-hexadecylbenzamide
CID 4936106
N-decyl-4-ethoxybenzamide
CID 4123784
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
butyl 4-(butylcarbamoyl)benzoate
CID 71328248
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 26197497
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-propoxybenzamide?
The IUPAC name of N-butyl-4-propoxybenzamide (CID 17142951) is N-butyl-4-propoxybenzamide.
What is the SMILES notation for N-butyl-4-propoxybenzamide?
The canonical SMILES for N-butyl-4-propoxybenzamide is CCCCNC(=O)c1ccc(OCCC)cc1.
What is the InChIKey of N-butyl-4-propoxybenzamide?
The InChIKey is CZQSNMHCJGTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-10-15-14(16)12-6-8-13(9-7-12)17-11-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-4-propoxybenzamide?
N-butyl-4-propoxybenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-propoxybenzamide is sourced from PubChem (CID 17142951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).