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

C10H21NO — CID 54114654

IUPACN-butan-2-yl-N-(2-methylpropyl)acetamide
SMILESCCC(C)N(CC(C)C)C(C)=O
InChIInChI=1S/C10H21NO/c1-6-9(4)11(10(5)12)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyXBNNBENOGSCSKN-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds4

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

N-butan-2-yl-N-(2-methylpropyl)acetamide (PubChem CID 54114654) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methylpropyl)acetamide
PubChem CID54114654
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butan-2-yl-N-(2-methylpropyl)acetamide
SMILESCCC(C)N(CC(C)C)C(C)=O
InChIInChI=1S/C10H21NO/c1-6-9(4)11(10(5)12)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyXBNNBENOGSCSKN-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methylpropyl)acetamide?
The IUPAC name of N-butan-2-yl-N-(2-methylpropyl)acetamide (CID 54114654) is N-butan-2-yl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-butan-2-yl-N-(2-methylpropyl)acetamide is CCC(C)N(CC(C)C)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-(2-methylpropyl)acetamide?
The InChIKey is XBNNBENOGSCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(4)11(10(5)12)7-8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of N-butan-2-yl-N-(2-methylpropyl)acetamide?
N-butan-2-yl-N-(2-methylpropyl)acetamide has a molecular weight of 171.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 54114654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).