3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide

C16H20N2O — CID 60822484

IUPAC3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C#CCN)c1)C1CC1
InChIInChI=1S/C16H20N2O/c1-2-11-18(15-8-9-15)16(19)14-7-3-5-13(12-14)6-4-10-17/h3,5,7,12,15H,2,8-11,17H2,1H3
InChIKeyFRPCRXNMZOEWSP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.01
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide

3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide (PubChem CID 60822484) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
PubChem CID60822484
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C#CCN)c1)C1CC1
InChIInChI=1S/C16H20N2O/c1-2-11-18(15-8-9-15)16(19)14-7-3-5-13(12-14)6-4-10-17/h3,5,7,12,15H,2,8-11,17H2,1H3
InChIKeyFRPCRXNMZOEWSP-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide 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

5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63208988
[3-(3-aminoprop-1-ynyl)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 61422057
3-(3-aminoprop-1-ynyl)-N,N-bis(cyanomethyl)benzamide
CID 54921681
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide (CID 60822484) is 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide is CCCN(C(=O)c1cccc(C#CCN)c1)C1CC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
The InChIKey is FRPCRXNMZOEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-11-18(15-8-9-15)16(19)14-7-3-5-13(12-14)6-4-10-17/h3,5,7,12,15H,2,8-11,17H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide has a molecular weight of 256.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide is sourced from PubChem (CID 60822484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).