N-butan-2-yl-2-(octylamino)acetamide

C14H30N2O — CID 78914360

IUPACN-butan-2-yl-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)NC(C)CC
InChIInChI=1S/C14H30N2O/c1-4-6-7-8-9-10-11-15-12-14(17)16-13(3)5-2/h13,15H,4-12H2,1-3H3,(H,16,17)
InChIKeyBTSLVUJUXHXXKP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.85
Rot. Bonds11

About N-butan-2-yl-2-(octylamino)acetamide

N-butan-2-yl-2-(octylamino)acetamide (PubChem CID 78914360) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(octylamino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(octylamino)acetamide
PubChem CID78914360
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-butan-2-yl-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)NC(C)CC
InChIInChI=1S/C14H30N2O/c1-4-6-7-8-9-10-11-15-12-14(17)16-13(3)5-2/h13,15H,4-12H2,1-3H3,(H,16,17)
InChIKeyBTSLVUJUXHXXKP-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-2-(octylamino)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-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
N-butan-2-yl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808993
(2S)-2-[[2-(dodecylamino)acetyl]amino]-3-methylbutanoic acid
CID 91122441
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-ethyl-2-(pentylamino)acetamide
CID 28569032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(octylamino)acetamide?
The IUPAC name of N-butan-2-yl-2-(octylamino)acetamide (CID 78914360) is N-butan-2-yl-2-(octylamino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(octylamino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(octylamino)acetamide is CCCCCCCCNCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-(octylamino)acetamide?
The InChIKey is BTSLVUJUXHXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-7-8-9-10-11-15-12-14(17)16-13(3)5-2/h13,15H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(octylamino)acetamide?
N-butan-2-yl-2-(octylamino)acetamide has a molecular weight of 242.41 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(octylamino)acetamide is sourced from PubChem (CID 78914360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).