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N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide

C14H30N2O — CID 60672212

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
SMILESCC(C)CCNC(=O)CNC(C)CCC(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)6-7-13(5)16-10-14(17)15-9-8-12(3)4/h11-13,16H,6-10H2,1-5H3,(H,15,17)
InChIKeyIQUIRTKQPLTBAN-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.56
Rot. Bonds9

About N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide

N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide (PubChem CID 60672212) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
PubChem CID60672212
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
SMILESCC(C)CCNC(=O)CNC(C)CCC(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)6-7-13(5)16-10-14(17)15-9-8-12(3)4/h11-13,16H,6-10H2,1-5H3,(H,15,17)
InChIKeyIQUIRTKQPLTBAN-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide (CID 60672212) is N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide is CC(C)CCNC(=O)CNC(C)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide?
The InChIKey is IQUIRTKQPLTBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)6-7-13(5)16-10-14(17)15-9-8-12(3)4/h11-13,16H,6-10H2,1-5H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide?
N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide has a molecular weight of 242.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide is sourced from PubChem (CID 60672212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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