4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C15H21NO2 — CID 115764816

IUPAC4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-14(2,3)12-6-4-11(5-7-12)13(18)16-15(10-17)8-9-15/h4-7,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyXMYVIWFCUBNDOI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.24
Rot. Bonds3

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

4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 115764816) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID115764816
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-14(2,3)12-6-4-11(5-7-12)13(18)16-15(10-17)8-9-15/h4-7,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyXMYVIWFCUBNDOI-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-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-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
N-[4-(bromomethyl)oxan-4-yl]-4-tert-butylbenzamide
CID 106301059
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 110008816
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 115764816) is 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide is CC(C)(C)c1ccc(C(=O)NC2(CO)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is XMYVIWFCUBNDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)12-6-4-11(5-7-12)13(18)16-15(10-17)8-9-15/h4-7,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 115764816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).