2-iodopropyl N-butylcarbamate

C8H16INO2 — CID 175153431

IUPAC2-iodopropyl N-butylcarbamate
SMILESCCCCNC(=O)OCC(C)I
InChIInChI=1S/C8H16INO2/c1-3-4-5-10-8(11)12-6-7(2)9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyUINSQXHAGXKZRQ-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.34
Rot. Bonds5

About 2-iodopropyl N-butylcarbamate

2-iodopropyl N-butylcarbamate (PubChem CID 175153431) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-iodopropyl N-butylcarbamate.

Molecular Properties

Compound Name2-iodopropyl N-butylcarbamate
PubChem CID175153431
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC Name2-iodopropyl N-butylcarbamate
SMILESCCCCNC(=O)OCC(C)I
InChIInChI=1S/C8H16INO2/c1-3-4-5-10-8(11)12-6-7(2)9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyUINSQXHAGXKZRQ-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodopropyl N-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aminomethyl N-butylcarbamate
CID 139491046
[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
CID 59499826
2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
CID 654802
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
[5-methyl-6-(tetradecylcarbamoyloxy)hexyl] N-tetradecylcarbamate
CID 58283700
2-methylbutyl N-propylcarbamate
CID 127538020
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
[2-[2-aminoethyl-[1,2-bis(butylcarbamoyloxy)ethyl]amino]-2-(butylcarbamoyloxy)ethyl] N-butylcarbamate;dihydrochloride
CID 21156309
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360

Frequently Asked Questions

What is the IUPAC name of 2-iodopropyl N-butylcarbamate?
The IUPAC name of 2-iodopropyl N-butylcarbamate (CID 175153431) is 2-iodopropyl N-butylcarbamate.
What is the SMILES notation for 2-iodopropyl N-butylcarbamate?
The canonical SMILES for 2-iodopropyl N-butylcarbamate is CCCCNC(=O)OCC(C)I.
What is the InChIKey of 2-iodopropyl N-butylcarbamate?
The InChIKey is UINSQXHAGXKZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-3-4-5-10-8(11)12-6-7(2)9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-iodopropyl N-butylcarbamate?
2-iodopropyl N-butylcarbamate has a molecular weight of 285.13 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopropyl N-butylcarbamate is sourced from PubChem (CID 175153431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).