2-iodo-N-propylpropanamide

C6H12INO — CID 64787589

IUPAC2-iodo-N-propylpropanamide
SMILESCCCNC(=O)C(C)I
InChIInChI=1S/C6H12INO/c1-3-4-8-6(9)5(2)7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyVMFPDVODHZXUKA-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.34
Rot. Bonds3

About 2-iodo-N-propylpropanamide

2-iodo-N-propylpropanamide (PubChem CID 64787589) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 2-iodo-N-propylpropanamide.

Molecular Properties

Compound Name2-iodo-N-propylpropanamide
PubChem CID64787589
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name2-iodo-N-propylpropanamide
SMILESCCCNC(=O)C(C)I
InChIInChI=1S/C6H12INO/c1-3-4-8-6(9)5(2)7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyVMFPDVODHZXUKA-UHFFFAOYSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
3,3-dimethyl-N-propyl-2-sulfanylbutanamide
CID 143641927

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-propylpropanamide?
The IUPAC name of 2-iodo-N-propylpropanamide (CID 64787589) is 2-iodo-N-propylpropanamide.
What is the SMILES notation for 2-iodo-N-propylpropanamide?
The canonical SMILES for 2-iodo-N-propylpropanamide is CCCNC(=O)C(C)I.
What is the InChIKey of 2-iodo-N-propylpropanamide?
The InChIKey is VMFPDVODHZXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-3-4-8-6(9)5(2)7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-iodo-N-propylpropanamide?
2-iodo-N-propylpropanamide has a molecular weight of 241.07 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-propylpropanamide is sourced from PubChem (CID 64787589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).