N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide

C15H32N2O — CID 169251356

IUPACN-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide
SMILESCCCCN(CCC(NC(C)=O)C(C)C)C(C)C
InChIInChI=1S/C15H32N2O/c1-7-8-10-17(13(4)5)11-9-15(12(2)3)16-14(6)18/h12-13,15H,7-11H2,1-6H3,(H,16,18)
InChIKeyQWTDXXUYUVJPGM-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.05
Rot. Bonds9

About N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide

N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide (PubChem CID 169251356) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide
PubChem CID169251356
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide
SMILESCCCCN(CCC(NC(C)=O)C(C)C)C(C)C
InChIInChI=1S/C15H32N2O/c1-7-8-10-17(13(4)5)11-9-15(12(2)3)16-14(6)18/h12-13,15H,7-11H2,1-6H3,(H,16,18)
InChIKeyQWTDXXUYUVJPGM-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
CID 122599066
N-(2,7,7-trimethyloctan-3-yl)acetamide
CID 144535595
N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
CID 126694480
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
N-hexan-2-ylacetamide;methane
CID 161054772
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-(6-ethyldecan-5-yl)acetamide
CID 88504383
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779

Frequently Asked Questions

What is the IUPAC name of N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide?
The IUPAC name of N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide (CID 169251356) is N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide.
What is the SMILES notation for N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide?
The canonical SMILES for N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide is CCCCN(CCC(NC(C)=O)C(C)C)C(C)C.
What is the InChIKey of N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide?
The InChIKey is QWTDXXUYUVJPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-8-10-17(13(4)5)11-9-15(12(2)3)16-14(6)18/h12-13,15H,7-11H2,1-6H3,(H,16,18).
What are the key properties of N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide?
N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide has a molecular weight of 256.43 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 169251356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).