3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide

C19H28N2O2 — CID 75382929

IUPAC3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(NCc1cccc(C(=O)NCC2CCCO2)c1)C1CCC1
InChIInChI=1S/C19H28N2O2/c1-14(16-6-3-7-16)20-12-15-5-2-8-17(11-15)19(22)21-13-18-9-4-10-23-18/h2,5,8,11,14,16,18,20H,3-4,6-7,9-10,12-13H2,1H3,(H,21,22)
InChIKeyLZRHGPMELVYQED-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.87
Rot. Bonds7

About 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide

3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 75382929) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID75382929
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(NCc1cccc(C(=O)NCC2CCCO2)c1)C1CCC1
InChIInChI=1S/C19H28N2O2/c1-14(16-6-3-7-16)20-12-15-5-2-8-17(11-15)19(22)21-13-18-9-4-10-23-18/h2,5,8,11,14,16,18,20H,3-4,6-7,9-10,12-13H2,1H3,(H,21,22)
InChIKeyLZRHGPMELVYQED-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)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

3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120561368
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110990068
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 75382929) is 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide is CC(NCc1cccc(C(=O)NCC2CCCO2)c1)C1CCC1.
What is the InChIKey of 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LZRHGPMELVYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(16-6-3-7-16)20-12-15-5-2-8-17(11-15)19(22)21-13-18-9-4-10-23-18/h2,5,8,11,14,16,18,20H,3-4,6-7,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 75382929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).