N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide

C17H24N2O — CID 71792865

IUPACN-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC#CCN(C)Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-15(2)13-17(20)18-11-7-8-12-19(3)14-16-9-5-4-6-10-16/h4-6,9-10,15H,11-14H2,1-3H3,(H,18,20)
InChIKeyKETQIAZFPGRFBC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide

N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide (PubChem CID 71792865) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide
PubChem CID71792865
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC#CCN(C)Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-15(2)13-17(20)18-11-7-8-12-19(3)14-16-9-5-4-6-10-16/h4-6,9-10,15H,11-14H2,1-3H3,(H,18,20)
InChIKeyKETQIAZFPGRFBC-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.28
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]-3-methylbutanamide 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]acetamide
CID 21390504
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-benzylsulfanylacetamide
CID 71792878
(2R)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985586
(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
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
1-[4-[benzyl(methyl)amino]but-2-ynyl]-3-(2,3-dimethoxyphenyl)urea
CID 71792908
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
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide (CID 71792865) is N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide is CC(C)CC(=O)NCC#CCN(C)Cc1ccccc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide?
The InChIKey is KETQIAZFPGRFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15(2)13-17(20)18-11-7-8-12-19(3)14-16-9-5-4-6-10-16/h4-6,9-10,15H,11-14H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide?
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide has a molecular weight of 272.39 g/mol, XLogP of 2.28, 6 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]-3-methylbutanamide is sourced from PubChem (CID 71792865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).