N-(3-iodobutyl)-2-methylpropanamide

C8H16INO — CID 139362992

IUPACN-(3-iodobutyl)-2-methylpropanamide
SMILESCC(I)CCNC(=O)C(C)C
InChIInChI=1S/C8H16INO/c1-6(2)8(11)10-5-4-7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyFOWDTJHPPQRHRP-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.97
Rot. Bonds4

About N-(3-iodobutyl)-2-methylpropanamide

N-(3-iodobutyl)-2-methylpropanamide (PubChem CID 139362992) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(3-iodobutyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-iodobutyl)-2-methylpropanamide
PubChem CID139362992
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC NameN-(3-iodobutyl)-2-methylpropanamide
SMILESCC(I)CCNC(=O)C(C)C
InChIInChI=1S/C8H16INO/c1-6(2)8(11)10-5-4-7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyFOWDTJHPPQRHRP-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.97
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

N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
N-(aminomethyl)-2-methylpropanamide
CID 88582106
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
2-(2-methylpropanoylamino)ethanesulfonic acid
CID 89280118
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110

Frequently Asked Questions

What is the IUPAC name of N-(3-iodobutyl)-2-methylpropanamide?
The IUPAC name of N-(3-iodobutyl)-2-methylpropanamide (CID 139362992) is N-(3-iodobutyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-iodobutyl)-2-methylpropanamide?
The canonical SMILES for N-(3-iodobutyl)-2-methylpropanamide is CC(I)CCNC(=O)C(C)C.
What is the InChIKey of N-(3-iodobutyl)-2-methylpropanamide?
The InChIKey is FOWDTJHPPQRHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-6(2)8(11)10-5-4-7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(3-iodobutyl)-2-methylpropanamide?
N-(3-iodobutyl)-2-methylpropanamide has a molecular weight of 269.13 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodobutyl)-2-methylpropanamide is sourced from PubChem (CID 139362992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).