N-(3-propylhexan-2-yl)propanamide

C12H25NO — CID 3040306

IUPACN-(3-propylhexan-2-yl)propanamide
SMILESCCCC(CCC)C(C)NC(=O)CC
InChIInChI=1S/C12H25NO/c1-5-8-11(9-6-2)10(4)13-12(14)7-3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyPVWKAVAGRAOIDO-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds7

About N-(3-propylhexan-2-yl)propanamide

N-(3-propylhexan-2-yl)propanamide (PubChem CID 3040306) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(3-propylhexan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-propylhexan-2-yl)propanamide
PubChem CID3040306
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(3-propylhexan-2-yl)propanamide
SMILESCCCC(CCC)C(C)NC(=O)CC
InChIInChI=1S/C12H25NO/c1-5-8-11(9-6-2)10(4)13-12(14)7-3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyPVWKAVAGRAOIDO-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-propylhexan-2-yl)propanamide?
The IUPAC name of N-(3-propylhexan-2-yl)propanamide (CID 3040306) is N-(3-propylhexan-2-yl)propanamide.
What is the SMILES notation for N-(3-propylhexan-2-yl)propanamide?
The canonical SMILES for N-(3-propylhexan-2-yl)propanamide is CCCC(CCC)C(C)NC(=O)CC.
What is the InChIKey of N-(3-propylhexan-2-yl)propanamide?
The InChIKey is PVWKAVAGRAOIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-11(9-6-2)10(4)13-12(14)7-3/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(3-propylhexan-2-yl)propanamide?
N-(3-propylhexan-2-yl)propanamide has a molecular weight of 199.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylhexan-2-yl)propanamide is sourced from PubChem (CID 3040306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).