2-(octan-4-ylamino)propanamide

C11H24N2O — CID 103776431

IUPAC2-(octan-4-ylamino)propanamide
SMILESCCCCC(CCC)NC(C)C(N)=O
InChIInChI=1S/C11H24N2O/c1-4-6-8-10(7-5-2)13-9(3)11(12)14/h9-10,13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyZSSYZWDTGDVWSF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds8

About 2-(octan-4-ylamino)propanamide

2-(octan-4-ylamino)propanamide (PubChem CID 103776431) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(octan-4-ylamino)propanamide.

Molecular Properties

Compound Name2-(octan-4-ylamino)propanamide
PubChem CID103776431
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-(octan-4-ylamino)propanamide
SMILESCCCCC(CCC)NC(C)C(N)=O
InChIInChI=1S/C11H24N2O/c1-4-6-8-10(7-5-2)13-9(3)11(12)14/h9-10,13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyZSSYZWDTGDVWSF-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(undecan-6-ylamino)propanamide
CID 43777100
N-carbamoyl-2-(octan-4-ylamino)propanamide
CID 113249809
methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927
N-cyclopropyl-2-(octan-4-ylamino)propanamide
CID 103728152
2-(octan-4-ylamino)butanoic acid
CID 106019964
N-nonan-5-ylnonan-5-amine
CID 86205180
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
2-methylhexanamide
CID 2828737
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
2-propylhexanamide
CID 19818979
3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
CID 106021394
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991

Frequently Asked Questions

What is the IUPAC name of 2-(octan-4-ylamino)propanamide?
The IUPAC name of 2-(octan-4-ylamino)propanamide (CID 103776431) is 2-(octan-4-ylamino)propanamide.
What is the SMILES notation for 2-(octan-4-ylamino)propanamide?
The canonical SMILES for 2-(octan-4-ylamino)propanamide is CCCCC(CCC)NC(C)C(N)=O.
What is the InChIKey of 2-(octan-4-ylamino)propanamide?
The InChIKey is ZSSYZWDTGDVWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-6-8-10(7-5-2)13-9(3)11(12)14/h9-10,13H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 2-(octan-4-ylamino)propanamide?
2-(octan-4-ylamino)propanamide has a molecular weight of 200.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-4-ylamino)propanamide is sourced from PubChem (CID 103776431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).