4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C15H23NO4 — CID 60654687

IUPAC4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCOCCO)cc1
InChIInChI=1S/C15H23NO4/c1-2-3-10-20-14-6-4-13(5-7-14)15(18)16-8-11-19-12-9-17/h4-7,17H,2-3,8-12H2,1H3,(H,16,18)
InChIKeyZXKMJRZCCDZKSS-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.60
Rot. Bonds10

About 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide

4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 60654687) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID60654687
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCOCCO)cc1
InChIInChI=1S/C15H23NO4/c1-2-3-10-20-14-6-4-13(5-7-14)15(18)16-8-11-19-12-9-17/h4-7,17H,2-3,8-12H2,1H3,(H,16,18)
InChIKeyZXKMJRZCCDZKSS-UHFFFAOYSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.60
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-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
N-decyl-4-ethoxybenzamide
CID 4123784
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
4-heptoxy-N-methylbenzamide
CID 3291691
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 60654687) is 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide is CCCCOc1ccc(C(=O)NCCOCCO)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is ZXKMJRZCCDZKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-3-10-20-14-6-4-13(5-7-14)15(18)16-8-11-19-12-9-17/h4-7,17H,2-3,8-12H2,1H3,(H,16,18).
What are the key properties of 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 281.35 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 60654687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).