1-(carbamoylamino)-3-octadecylurea

C20H42N4O2 — CID 21260134

IUPAC1-(carbamoylamino)-3-octadecylurea
SMILESCCCCCCCCCCCCCCCCCCNC(=O)NNC(N)=O
InChIInChI=1S/C20H42N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(26)24-23-19(21)25/h2-18H2,1H3,(H3,21,23,25)(H2,22,24,26)
InChIKeyLWMORAKZSGCNSG-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.13
Rot. Bonds17

About 1-(carbamoylamino)-3-octadecylurea

1-(carbamoylamino)-3-octadecylurea (PubChem CID 21260134) has the molecular formula C20H42N4O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-octadecylurea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-octadecylurea
PubChem CID21260134
Molecular FormulaC20H42N4O2
Molecular Weight370.58 g/mol
Exact Mass370.33
IUPAC Name1-(carbamoylamino)-3-octadecylurea
SMILESCCCCCCCCCCCCCCCCCCNC(=O)NNC(N)=O
InChIInChI=1S/C20H42N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(26)24-23-19(21)25/h2-18H2,1H3,(H3,21,23,25)(H2,22,24,26)
InChIKeyLWMORAKZSGCNSG-UHFFFAOYSA-N
XLogP5.13
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-3-octadecylurea?
The IUPAC name of 1-(carbamoylamino)-3-octadecylurea (CID 21260134) is 1-(carbamoylamino)-3-octadecylurea.
What is the SMILES notation for 1-(carbamoylamino)-3-octadecylurea?
The canonical SMILES for 1-(carbamoylamino)-3-octadecylurea is CCCCCCCCCCCCCCCCCCNC(=O)NNC(N)=O.
What is the InChIKey of 1-(carbamoylamino)-3-octadecylurea?
The InChIKey is LWMORAKZSGCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(26)24-23-19(21)25/h2-18H2,1H3,(H3,21,23,25)(H2,22,24,26).
What are the key properties of 1-(carbamoylamino)-3-octadecylurea?
1-(carbamoylamino)-3-octadecylurea has a molecular weight of 370.58 g/mol, XLogP of 5.13, 17 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-octadecylurea is sourced from PubChem (CID 21260134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).