3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide

C15H19N3O2 — CID 61466129

IUPAC3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(C#CCN)c1)C(=O)N(C)C
InChIInChI=1S/C15H19N3O2/c1-11(15(20)18(2)3)17-14(19)13-8-4-6-12(10-13)7-5-9-16/h4,6,8,10-11H,9,16H2,1-3H3,(H,17,19)
InChIKeyHRIDKTSCMPBAIL-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.20
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide

3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 61466129) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID61466129
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(C#CCN)c1)C(=O)N(C)C
InChIInChI=1S/C15H19N3O2/c1-11(15(20)18(2)3)17-14(19)13-8-4-6-12(10-13)7-5-9-16/h4,6,8,10-11H,9,16H2,1-3H3,(H,17,19)
InChIKeyHRIDKTSCMPBAIL-UHFFFAOYSA-N
XLogP0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]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-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 61466175
3-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62640695
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 62954188
3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217820
3-(chloromethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 43578897
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884
methyl (2R)-2-[[3-[5-[acetyl(methyl)amino]pent-1-ynyl]benzoyl]amino]propanoate
CID 118144303
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide (CID 61466129) is 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(C#CCN)c1)C(=O)N(C)C.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is HRIDKTSCMPBAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(15(20)18(2)3)17-14(19)13-8-4-6-12(10-13)7-5-9-16/h4,6,8,10-11H,9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 61466129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).