N-(1-iodo-3-methylbutan-2-yl)propanamide

C8H16INO — CID 107860016

IUPACN-(1-iodo-3-methylbutan-2-yl)propanamide
SMILESCCC(=O)NC(CI)C(C)C
InChIInChI=1S/C8H16INO/c1-4-8(11)10-7(5-9)6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyZRGMDBFLPYCJEZ-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.97
Rot. Bonds4

About N-(1-iodo-3-methylbutan-2-yl)propanamide

N-(1-iodo-3-methylbutan-2-yl)propanamide (PubChem CID 107860016) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)propanamide
PubChem CID107860016
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)propanamide
SMILESCCC(=O)NC(CI)C(C)C
InChIInChI=1S/C8H16INO/c1-4-8(11)10-7(5-9)6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyZRGMDBFLPYCJEZ-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

tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107860027
N-(1-methoxy-4-methylpentan-3-yl)propanamide
CID 163271813
N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107860044
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
CID 107860157
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-(2-hydroxyhexan-3-yl)propanamide
CID 163591274
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859798
N-(1-sulfanylethyl)propanamide
CID 22119628
1-O-ethyl 4-O-[3-methyl-2-(propanoylamino)butyl] (E)-but-2-enedioate
CID 126492306
3-amino-N-(2-methylpentan-3-yl)propanamide
CID 61472687

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)propanamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)propanamide (CID 107860016) is N-(1-iodo-3-methylbutan-2-yl)propanamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)propanamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)propanamide is CCC(=O)NC(CI)C(C)C.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)propanamide?
The InChIKey is ZRGMDBFLPYCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-4-8(11)10-7(5-9)6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)propanamide?
N-(1-iodo-3-methylbutan-2-yl)propanamide 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-(1-iodo-3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107860016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).