2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide

C13H25NO — CID 21366265

IUPAC2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCC1CC1)C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)12(8-7-11-5-6-11)13(15)14-10(3)4/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyPVCCKQODKDGWOT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.97
Rot. Bonds6

About 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide

2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide (PubChem CID 21366265) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide
PubChem CID21366265
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCC1CC1)C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)12(8-7-11-5-6-11)13(15)14-10(3)4/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyPVCCKQODKDGWOT-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide (CID 21366265) is 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(CCC1CC1)C(C)C.
What is the InChIKey of 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is PVCCKQODKDGWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)12(8-7-11-5-6-11)13(15)14-10(3)4/h9-12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide?
2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 211.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 21366265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).