3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide

C8H15IN2O2 — CID 146565934

IUPAC3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide
SMILESCCC(=O)CN(CI)C(=O)CCN
InChIInChI=1S/C8H15IN2O2/c1-2-7(12)5-11(6-9)8(13)3-4-10/h2-6,10H2,1H3
InChIKeyLSKODVJKEVZGDS-UHFFFAOYSA-N
MW298.12 g/mol
LogP0.54
Rot. Bonds6

About 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide

3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide (PubChem CID 146565934) has the molecular formula C8H15IN2O2 and a molecular weight of 298.12 g/mol. Its IUPAC name is 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide
PubChem CID146565934
Molecular FormulaC8H15IN2O2
Molecular Weight298.12 g/mol
Exact Mass298.02
IUPAC Name3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide
SMILESCCC(=O)CN(CI)C(=O)CCN
InChIInChI=1S/C8H15IN2O2/c1-2-7(12)5-11(6-9)8(13)3-4-10/h2-6,10H2,1H3
InChIKeyLSKODVJKEVZGDS-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 60937942
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
2-[(2-amino-2-oxoethyl)-(2-oxobutyl)amino]acetamide
CID 62922447
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
4-amino-N,N-dipropylbutanamide
CID 12835718
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
1-[amino(methyl)amino]butan-2-one
CID 146213557
3-amino-N,N-bis(2-sulfanylethyl)propanamide
CID 102109242
[3-aminopropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 140554532
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide
CID 89192424

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide?
The IUPAC name of 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide (CID 146565934) is 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide.
What is the SMILES notation for 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide?
The canonical SMILES for 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide is CCC(=O)CN(CI)C(=O)CCN.
What is the InChIKey of 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide?
The InChIKey is LSKODVJKEVZGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2O2/c1-2-7(12)5-11(6-9)8(13)3-4-10/h2-6,10H2,1H3.
What are the key properties of 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide?
3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide has a molecular weight of 298.12 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide is sourced from PubChem (CID 146565934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).