N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide

C15H20N2O — CID 78915073

IUPACN-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCC)Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-10-16-12-15(18)17(11-4-2)13-14-8-6-5-7-9-14/h1,5-9,16H,4,10-13H2,2H3
InChIKeyUHQLXEQLPDSFLD-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.65
Rot. Bonds7

About N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide

N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide (PubChem CID 78915073) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
PubChem CID78915073
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCC)Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-10-16-12-15(18)17(11-4-2)13-14-8-6-5-7-9-14/h1,5-9,16H,4,10-13H2,2H3
InChIKeyUHQLXEQLPDSFLD-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide 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

N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
N-benzyl-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119681638
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
CID 10768459
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-[2-[benzyl(propyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51186348
N-benzyl-N-[(2-oxochromen-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 162405947
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propylacetamide
CID 30586947
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide (CID 78915073) is N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is UHQLXEQLPDSFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-10-16-12-15(18)17(11-4-2)13-14-8-6-5-7-9-14/h1,5-9,16H,4,10-13H2,2H3.
What are the key properties of N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide?
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 244.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78915073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).