N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide

C14H18N2O — CID 21390504

IUPACN-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
SMILESCC(=O)NCC#CCN(C)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-13(17)15-10-6-7-11-16(2)12-14-8-4-3-5-9-14/h3-5,8-9H,10-12H2,1-2H3,(H,15,17)
InChIKeyGHUGNCIKTFARRJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.26
Rot. Bonds4

About N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide

N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide (PubChem CID 21390504) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
PubChem CID21390504
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
SMILESCC(=O)NCC#CCN(C)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-13(17)15-10-6-7-11-16(2)12-14-8-4-3-5-9-14/h3-5,8-9H,10-12H2,1-2H3,(H,15,17)
InChIKeyGHUGNCIKTFARRJ-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[benzyl(methyl)amino]but-2-ynyl]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-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide
CID 71792865
(2S)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985585
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-phenylprop-2-enamide
CID 71960612
N-[4-[benzyl(methyl)amino]but-2-ynyl]-4-chlorobenzamide
CID 71792872
(2R)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985586
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-benzylsulfanylacetamide
CID 71792878
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 71792859
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
1-[4-[benzyl(methyl)amino]but-2-ynyl]-3-(2,3-dimethoxyphenyl)urea
CID 71792908
N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71792927
N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
CID 54276593
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide (CID 21390504) is N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide is CC(=O)NCC#CCN(C)Cc1ccccc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide?
The InChIKey is GHUGNCIKTFARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-13(17)15-10-6-7-11-16(2)12-14-8-4-3-5-9-14/h3-5,8-9H,10-12H2,1-2H3,(H,15,17).
What are the key properties of N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide?
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide is sourced from PubChem (CID 21390504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).