2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide

C13H26N2O — CID 51077611

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)CCN(CC(=O)NC(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-10(2)7-8-15(12-5-6-12)9-13(16)14-11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyLFGLWAUQZXRVOP-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide

2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide (PubChem CID 51077611) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
PubChem CID51077611
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)CCN(CC(=O)NC(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-10(2)7-8-15(12-5-6-12)9-13(16)14-11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyLFGLWAUQZXRVOP-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide (CID 51077611) is 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide is CC(C)CCN(CC(=O)NC(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide?
The InChIKey is LFGLWAUQZXRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)7-8-15(12-5-6-12)9-13(16)14-11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide?
2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 51077611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).