propyl N-[3-(methylcarbamoylamino)propyl]carbamate

C9H19N3O3 — CID 23563503

IUPACpropyl N-[3-(methylcarbamoylamino)propyl]carbamate
SMILESCCCOC(=O)NCCCNC(=O)NC
InChIInChI=1S/C9H19N3O3/c1-3-7-15-9(14)12-6-4-5-11-8(13)10-2/h3-7H2,1-2H3,(H,12,14)(H2,10,11,13)
InChIKeyWSJQFXSNRARRGI-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.44
Rot. Bonds6

About propyl N-[3-(methylcarbamoylamino)propyl]carbamate

propyl N-[3-(methylcarbamoylamino)propyl]carbamate (PubChem CID 23563503) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is propyl N-[3-(methylcarbamoylamino)propyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(methylcarbamoylamino)propyl]carbamate
PubChem CID23563503
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Namepropyl N-[3-(methylcarbamoylamino)propyl]carbamate
SMILESCCCOC(=O)NCCCNC(=O)NC
InChIInChI=1S/C9H19N3O3/c1-3-7-15-9(14)12-6-4-5-11-8(13)10-2/h3-7H2,1-2H3,(H,12,14)(H2,10,11,13)
InChIKeyWSJQFXSNRARRGI-UHFFFAOYSA-N
XLogP0.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propyl N-[3-(methylcarbamoylamino)propyl]carbamate 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

3-(propoxycarbonylamino)propylcarbamic acid
CID 139823184
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
undecyl N-octylcarbamate
CID 168918698
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
1-butyl-3-methylurea;hydrochloride
CID 20501295
azane;octyl N-octylcarbamate
CID 175531380
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(methylcarbamoylamino)propyl]carbamate?
The IUPAC name of propyl N-[3-(methylcarbamoylamino)propyl]carbamate (CID 23563503) is propyl N-[3-(methylcarbamoylamino)propyl]carbamate.
What is the SMILES notation for propyl N-[3-(methylcarbamoylamino)propyl]carbamate?
The canonical SMILES for propyl N-[3-(methylcarbamoylamino)propyl]carbamate is CCCOC(=O)NCCCNC(=O)NC.
What is the InChIKey of propyl N-[3-(methylcarbamoylamino)propyl]carbamate?
The InChIKey is WSJQFXSNRARRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-7-15-9(14)12-6-4-5-11-8(13)10-2/h3-7H2,1-2H3,(H,12,14)(H2,10,11,13).
What are the key properties of propyl N-[3-(methylcarbamoylamino)propyl]carbamate?
propyl N-[3-(methylcarbamoylamino)propyl]carbamate has a molecular weight of 217.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(methylcarbamoylamino)propyl]carbamate is sourced from PubChem (CID 23563503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).