4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C15H21NO3 — CID 115764949

IUPAC4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-10-19-13-6-4-12(5-7-13)14(18)16-15(11-17)8-9-15/h4-7,17H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyFOLIDQKWYSLGBS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds7

About 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide

4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 115764949) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID115764949
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-10-19-13-6-4-12(5-7-13)14(18)16-15(11-17)8-9-15/h4-7,17H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyFOLIDQKWYSLGBS-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]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

N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
CID 113337544
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-butoxy-N-tert-butylbenzamide
CID 60643031
4-heptoxy-N-methylbenzamide
CID 3291691
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
2-[(4-butoxybenzoyl)amino]oxyacetic acid
CID 60667844
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 115764949) is 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide is CCCCOc1ccc(C(=O)NC2(CO)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is FOLIDQKWYSLGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-10-19-13-6-4-12(5-7-13)14(18)16-15(11-17)8-9-15/h4-7,17H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 115764949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).