2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide

C18H24N2O — CID 81112858

IUPAC2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
SMILESCCCCN(C(=O)c1cc(C)ccc1C#CCN)C1CC1
InChIInChI=1S/C18H24N2O/c1-3-4-12-20(16-9-10-16)18(21)17-13-14(2)7-8-15(17)6-5-11-19/h7-8,13,16H,3-4,9-12,19H2,1-2H3
InChIKeyVZYHHJUNNQDSJN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide

2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide (PubChem CID 81112858) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
PubChem CID81112858
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
SMILESCCCCN(C(=O)c1cc(C)ccc1C#CCN)C1CC1
InChIInChI=1S/C18H24N2O/c1-3-4-12-20(16-9-10-16)18(21)17-13-14(2)7-8-15(17)6-5-11-19/h7-8,13,16H,3-4,9-12,19H2,1-2H3
InChIKeyVZYHHJUNNQDSJN-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide 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

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 81112328
2-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 81112859
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
CID 65455448
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81111948
2-(3-aminoprop-1-ynyl)-N-(2-butoxyethyl)-5-methylbenzamide
CID 81111595
N-butyl-2-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
CID 81112825
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(3-methylbutyl)benzamide
CID 81112615
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81111985

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide (CID 81112858) is 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide is CCCCN(C(=O)c1cc(C)ccc1C#CCN)C1CC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide?
The InChIKey is VZYHHJUNNQDSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-12-20(16-9-10-16)18(21)17-13-14(2)7-8-15(17)6-5-11-19/h7-8,13,16H,3-4,9-12,19H2,1-2H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide has a molecular weight of 284.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide is sourced from PubChem (CID 81112858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).