3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide

C18H27N3O3 — CID 119751881

IUPAC3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCNCCCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H27N3O3/c1-19-9-3-8-17(22)20-12-14-5-2-6-15(11-14)18(23)21-13-16-7-4-10-24-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyCSHJJLGDCMZMGD-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.21
Rot. Bonds9

About 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide

3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 119751881) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID119751881
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCNCCCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H27N3O3/c1-19-9-3-8-17(22)20-12-14-5-2-6-15(11-14)18(23)21-13-16-7-4-10-24-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyCSHJJLGDCMZMGD-UHFFFAOYSA-N
XLogP1.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(methylamino)butanoylamino]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-[(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-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
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'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
3-[[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 110973665
3-[[(N'-methyl-N-pentylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 111128748
3-[[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111947135

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 119751881) is 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide is CNCCCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CSHJJLGDCMZMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-9-3-8-17(22)20-12-14-5-2-6-15(11-14)18(23)21-13-16-7-4-10-24-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 119751881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).