2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide

C17H36N2O — CID 121265189

IUPAC2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
SMILESCCCCN(CCC(C)C)CC(=O)NCCC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-7-8-12-19(13-9-15(2)3)14-16(20)18-11-10-17(4,5)6/h15H,7-14H2,1-6H3,(H,18,20)
InChIKeyDYTFFPPVSBUNFE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.69
Rot. Bonds10

About 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide

2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide (PubChem CID 121265189) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
PubChem CID121265189
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
SMILESCCCCN(CCC(C)C)CC(=O)NCCC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-7-8-12-19(13-9-15(2)3)14-16(20)18-11-10-17(4,5)6/h15H,7-14H2,1-6H3,(H,18,20)
InChIKeyDYTFFPPVSBUNFE-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)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

2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
CID 107870710
N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
CID 121263348
N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide
CID 121263449
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672
3-[[2-(butylamino)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82327238
N-(3,3-dimethylbutyl)butanamide
CID 115580246
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide (CID 121265189) is 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide is CCCCN(CCC(C)C)CC(=O)NCCC(C)(C)C.
What is the InChIKey of 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide?
The InChIKey is DYTFFPPVSBUNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-8-12-19(13-9-15(2)3)14-16(20)18-11-10-17(4,5)6/h15H,7-14H2,1-6H3,(H,18,20).
What are the key properties of 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide?
2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide has a molecular weight of 284.49 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 121265189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).