3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide

C15H20N2O — CID 81476301

IUPAC3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C)c(C#CCN)c1
InChIInChI=1S/C15H20N2O/c1-4-17(5-2)15(18)14-9-8-12(3)13(11-14)7-6-10-16/h8-9,11H,4-5,10,16H2,1-3H3
InChIKeyHJVVVHMQYYZGQR-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.79
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide

3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide (PubChem CID 81476301) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
PubChem CID81476301
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C)c(C#CCN)c1
InChIInChI=1S/C15H20N2O/c1-4-17(5-2)15(18)14-9-8-12(3)13(11-14)7-6-10-16/h8-9,11H,4-5,10,16H2,1-3H3
InChIKeyHJVVVHMQYYZGQR-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.79
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,N-diethyl-4-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

3-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81460123
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-4-methylbenzamide
CID 81476144
3-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-yl-N-propylbenzamide
CID 81476458
N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide
CID 81460684
3-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylbenzamide
CID 81475889
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N,4-dimethylbenzamide
CID 81476306
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N,4-dimethylbenzamide
CID 81476949
3-(3-aminoprop-1-ynyl)-4-methyl-N-pentylbenzamide
CID 81475687
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
3-(3-aminoprop-1-ynyl)-4-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 81459933
ethyl 2-[[3-(3-aminoprop-1-ynyl)-4-methylbenzoyl]amino]acetate
CID 81475690
3-(3-aminoprop-1-ynyl)-N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzamide
CID 81459809

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide (CID 81476301) is 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide is CCN(CC)C(=O)c1ccc(C)c(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide?
The InChIKey is HJVVVHMQYYZGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-17(5-2)15(18)14-9-8-12(3)13(11-14)7-6-10-16/h8-9,11H,4-5,10,16H2,1-3H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide?
3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide has a molecular weight of 244.34 g/mol, XLogP of 1.79, 3 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,N-diethyl-4-methylbenzamide is sourced from PubChem (CID 81476301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).