N-butyl-2-methyl-N-propylpropanamide

C11H23NO — CID 127119436

IUPACN-butyl-2-methyl-N-propylpropanamide
SMILESCCCCN(CCC)C(=O)C(C)C
InChIInChI=1S/C11H23NO/c1-5-7-9-12(8-6-2)11(13)10(3)4/h10H,5-9H2,1-4H3
InChIKeySLULILSFTILRCI-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.68
Rot. Bonds6

About N-butyl-2-methyl-N-propylpropanamide

N-butyl-2-methyl-N-propylpropanamide (PubChem CID 127119436) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butyl-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-propylpropanamide
PubChem CID127119436
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butyl-2-methyl-N-propylpropanamide
SMILESCCCCN(CCC)C(=O)C(C)C
InChIInChI=1S/C11H23NO/c1-5-7-9-12(8-6-2)11(13)10(3)4/h10H,5-9H2,1-4H3
InChIKeySLULILSFTILRCI-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-propylpropanamide?
The IUPAC name of N-butyl-2-methyl-N-propylpropanamide (CID 127119436) is N-butyl-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-butyl-2-methyl-N-propylpropanamide?
The canonical SMILES for N-butyl-2-methyl-N-propylpropanamide is CCCCN(CCC)C(=O)C(C)C.
What is the InChIKey of N-butyl-2-methyl-N-propylpropanamide?
The InChIKey is SLULILSFTILRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-9-12(8-6-2)11(13)10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N-butyl-2-methyl-N-propylpropanamide?
N-butyl-2-methyl-N-propylpropanamide has a molecular weight of 185.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-propylpropanamide is sourced from PubChem (CID 127119436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).