3-[3-(carbamoylamino)propoxy]propylurea

C8H18N4O3 — CID 11020357

IUPAC3-[3-(carbamoylamino)propoxy]propylurea
SMILESNC(=O)NCCCOCCCNC(N)=O
InChIInChI=1S/C8H18N4O3/c9-7(13)11-3-1-5-15-6-2-4-12-8(10)14/h1-6H2,(H3,9,11,13)(H3,10,12,14)
InChIKeyXCWUDNYLNGIYME-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.88
Rot. Bonds8

About 3-[3-(carbamoylamino)propoxy]propylurea

3-[3-(carbamoylamino)propoxy]propylurea (PubChem CID 11020357) has the molecular formula C8H18N4O3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[3-(carbamoylamino)propoxy]propylurea.

Molecular Properties

Compound Name3-[3-(carbamoylamino)propoxy]propylurea
PubChem CID11020357
Molecular FormulaC8H18N4O3
Molecular Weight218.26 g/mol
Exact Mass218.14
IUPAC Name3-[3-(carbamoylamino)propoxy]propylurea
SMILESNC(=O)NCCCOCCCNC(N)=O
InChIInChI=1S/C8H18N4O3/c9-7(13)11-3-1-5-15-6-2-4-12-8(10)14/h1-6H2,(H3,9,11,13)(H3,10,12,14)
InChIKeyXCWUDNYLNGIYME-UHFFFAOYSA-N
XLogP-0.88
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methoxypropyl)-3,3-dimethylurea
CID 45088657
N,N-diethyl{[3-(methylethoxy)propyl]amino}carboxamide
CID 17257301
[2-Fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea
CID 169214945
N-(3-methoxypropyl)urea
CID 2064040
[3-(Propan-2-yloxy)propyl]urea
CID 2103930
(3-Ethoxypropyl)urea
CID 2115229
1-(3-Propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251
Urea, N-acetoxypropyl-N'-propyl-
CID 537211
1,3-Bis(3-propan-2-yloxypropyl)urea
CID 12165706
1-(3-Methoxypropyl)-3-methylurea
CID 17171368
1,3-Bis(1-ethoxypropyl)urea
CID 20333164
1,3-Bis(1-methoxypropyl)urea
CID 20565150

Frequently Asked Questions

What is the IUPAC name of 3-[3-(carbamoylamino)propoxy]propylurea?
The IUPAC name of 3-[3-(carbamoylamino)propoxy]propylurea (CID 11020357) is 3-[3-(carbamoylamino)propoxy]propylurea.
What is the SMILES notation for 3-[3-(carbamoylamino)propoxy]propylurea?
The canonical SMILES for 3-[3-(carbamoylamino)propoxy]propylurea is NC(=O)NCCCOCCCNC(N)=O.
What is the InChIKey of 3-[3-(carbamoylamino)propoxy]propylurea?
The InChIKey is XCWUDNYLNGIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3/c9-7(13)11-3-1-5-15-6-2-4-12-8(10)14/h1-6H2,(H3,9,11,13)(H3,10,12,14).
What are the key properties of 3-[3-(carbamoylamino)propoxy]propylurea?
3-[3-(carbamoylamino)propoxy]propylurea has a molecular weight of 218.26 g/mol, XLogP of -0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(carbamoylamino)propoxy]propylurea is sourced from PubChem (CID 11020357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).