2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide

C10H19ClN2O2 — CID 134891649

IUPAC2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide
SMILESCCCCC(NC(=O)C(C)N)C(=O)CCl
InChIInChI=1S/C10H19ClN2O2/c1-3-4-5-8(9(14)6-11)13-10(15)7(2)12/h7-8H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyGDWJTKDGMFTVNG-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.82
Rot. Bonds7

About 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide

2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide (PubChem CID 134891649) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide
PubChem CID134891649
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide
SMILESCCCCC(NC(=O)C(C)N)C(=O)CCl
InChIInChI=1S/C10H19ClN2O2/c1-3-4-5-8(9(14)6-11)13-10(15)7(2)12/h7-8H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyGDWJTKDGMFTVNG-UHFFFAOYSA-N
XLogP0.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide?
The IUPAC name of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide (CID 134891649) is 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide is CCCCC(NC(=O)C(C)N)C(=O)CCl.
What is the InChIKey of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide?
The InChIKey is GDWJTKDGMFTVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-3-4-5-8(9(14)6-11)13-10(15)7(2)12/h7-8H,3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide?
2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide has a molecular weight of 234.73 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide is sourced from PubChem (CID 134891649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).