N,N-di(butan-2-yl)-2-cyclopropylacetamide

C13H25NO — CID 86795417

IUPACN,N-di(butan-2-yl)-2-cyclopropylacetamide
SMILESCCC(C)N(C(=O)CC1CC1)C(C)CC
InChIInChI=1S/C13H25NO/c1-5-10(3)14(11(4)6-2)13(15)9-12-7-8-12/h10-12H,5-9H2,1-4H3
InChIKeyJAWMQEIIONHEFS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds6

About N,N-di(butan-2-yl)-2-cyclopropylacetamide

N,N-di(butan-2-yl)-2-cyclopropylacetamide (PubChem CID 86795417) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-cyclopropylacetamide
PubChem CID86795417
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,N-di(butan-2-yl)-2-cyclopropylacetamide
SMILESCCC(C)N(C(=O)CC1CC1)C(C)CC
InChIInChI=1S/C13H25NO/c1-5-10(3)14(11(4)6-2)13(15)9-12-7-8-12/h10-12H,5-9H2,1-4H3
InChIKeyJAWMQEIIONHEFS-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-cyclopropylacetamide?
The IUPAC name of N,N-di(butan-2-yl)-2-cyclopropylacetamide (CID 86795417) is N,N-di(butan-2-yl)-2-cyclopropylacetamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-cyclopropylacetamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-cyclopropylacetamide is CCC(C)N(C(=O)CC1CC1)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-cyclopropylacetamide?
The InChIKey is JAWMQEIIONHEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-10(3)14(11(4)6-2)13(15)9-12-7-8-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)-2-cyclopropylacetamide?
N,N-di(butan-2-yl)-2-cyclopropylacetamide has a molecular weight of 211.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-cyclopropylacetamide is sourced from PubChem (CID 86795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).