N-iodo-3-methylbutanamide

C5H10INO — CID 135276105

IUPACN-iodo-3-methylbutanamide
SMILESCC(C)CC(=O)NI
InChIInChI=1S/C5H10INO/c1-4(2)3-5(8)7-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPTCMOMXJFVSBQZ-UHFFFAOYSA-N
MW227.04 g/mol
LogP1.50
Rot. Bonds2

About N-iodo-3-methylbutanamide

N-iodo-3-methylbutanamide (PubChem CID 135276105) has the molecular formula C5H10INO and a molecular weight of 227.04 g/mol. Its IUPAC name is N-iodo-3-methylbutanamide.

Molecular Properties

Compound NameN-iodo-3-methylbutanamide
PubChem CID135276105
Molecular FormulaC5H10INO
Molecular Weight227.04 g/mol
Exact Mass226.98
IUPAC NameN-iodo-3-methylbutanamide
SMILESCC(C)CC(=O)NI
InChIInChI=1S/C5H10INO/c1-4(2)3-5(8)7-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPTCMOMXJFVSBQZ-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-methylbutanamide
CID 13258739
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
N'-(2-chloropropanoyl)-3-methylbutanehydrazide
CID 54592767
N'-[(2S)-2-chloropropanoyl]-3-methylbutanehydrazide
CID 52908268
3-methyl-N-(methylcarbamothioyl)butanamide
CID 24847571
3-methyl-N-(4-methylpentan-2-yloxy)butanamide
CID 143833988
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
2-(3-methylbutanoylamino)-3-(propan-2-ylamino)propanoic acid
CID 153461625
3-methyl-N-pyrimidin-5-ylbutanamide
CID 130219529

Frequently Asked Questions

What is the IUPAC name of N-iodo-3-methylbutanamide?
The IUPAC name of N-iodo-3-methylbutanamide (CID 135276105) is N-iodo-3-methylbutanamide.
What is the SMILES notation for N-iodo-3-methylbutanamide?
The canonical SMILES for N-iodo-3-methylbutanamide is CC(C)CC(=O)NI.
What is the InChIKey of N-iodo-3-methylbutanamide?
The InChIKey is PTCMOMXJFVSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO/c1-4(2)3-5(8)7-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of N-iodo-3-methylbutanamide?
N-iodo-3-methylbutanamide has a molecular weight of 227.04 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-3-methylbutanamide is sourced from PubChem (CID 135276105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).