4-butoxy-N-tert-butylbenzamide

C15H23NO2 — CID 60643031

IUPAC4-butoxy-N-tert-butylbenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-6-11-18-13-9-7-12(8-10-13)14(17)16-15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17)
InChIKeyGFLVDSYBWUARBY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.39
Rot. Bonds5

About 4-butoxy-N-tert-butylbenzamide

4-butoxy-N-tert-butylbenzamide (PubChem CID 60643031) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-butoxy-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-tert-butylbenzamide
PubChem CID60643031
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-butoxy-N-tert-butylbenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-6-11-18-13-9-7-12(8-10-13)14(17)16-15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17)
InChIKeyGFLVDSYBWUARBY-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.39
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

N-tert-butyl-4-(2-fluoroethoxy)benzamide
CID 130197731
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
1-tert-butyl-3-[(4-hexoxybenzoyl)amino]thiourea
CID 9425629
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-heptoxy-N-methylbenzamide
CID 3291691
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-tert-butylbenzamide?
The IUPAC name of 4-butoxy-N-tert-butylbenzamide (CID 60643031) is 4-butoxy-N-tert-butylbenzamide.
What is the SMILES notation for 4-butoxy-N-tert-butylbenzamide?
The canonical SMILES for 4-butoxy-N-tert-butylbenzamide is CCCCOc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-butoxy-N-tert-butylbenzamide?
The InChIKey is GFLVDSYBWUARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-6-11-18-13-9-7-12(8-10-13)14(17)16-15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17).
What are the key properties of 4-butoxy-N-tert-butylbenzamide?
4-butoxy-N-tert-butylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-tert-butylbenzamide is sourced from PubChem (CID 60643031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).