1-(carbamoylamino)-3-hexadecylurea

C18H38N4O2 — CID 21259998

IUPAC1-(carbamoylamino)-3-hexadecylurea
SMILESCCCCCCCCCCCCCCCCNC(=O)NNC(N)=O
InChIInChI=1S/C18H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(24)22-21-17(19)23/h2-16H2,1H3,(H3,19,21,23)(H2,20,22,24)
InChIKeyJMMXZEQOCMYZSY-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.35
Rot. Bonds15

About 1-(carbamoylamino)-3-hexadecylurea

1-(carbamoylamino)-3-hexadecylurea (PubChem CID 21259998) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-hexadecylurea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-hexadecylurea
PubChem CID21259998
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name1-(carbamoylamino)-3-hexadecylurea
SMILESCCCCCCCCCCCCCCCCNC(=O)NNC(N)=O
InChIInChI=1S/C18H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(24)22-21-17(19)23/h2-16H2,1H3,(H3,19,21,23)(H2,20,22,24)
InChIKeyJMMXZEQOCMYZSY-UHFFFAOYSA-N
XLogP4.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.35
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-hexadecylurea?
The IUPAC name of 1-(carbamoylamino)-3-hexadecylurea (CID 21259998) is 1-(carbamoylamino)-3-hexadecylurea.
What is the SMILES notation for 1-(carbamoylamino)-3-hexadecylurea?
The canonical SMILES for 1-(carbamoylamino)-3-hexadecylurea is CCCCCCCCCCCCCCCCNC(=O)NNC(N)=O.
What is the InChIKey of 1-(carbamoylamino)-3-hexadecylurea?
The InChIKey is JMMXZEQOCMYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(24)22-21-17(19)23/h2-16H2,1H3,(H3,19,21,23)(H2,20,22,24).
What are the key properties of 1-(carbamoylamino)-3-hexadecylurea?
1-(carbamoylamino)-3-hexadecylurea has a molecular weight of 342.53 g/mol, XLogP of 4.35, 15 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-hexadecylurea is sourced from PubChem (CID 21259998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).