ethyl carbamate;(pentylamino)urea;urea

C10H26N6O4 — CID 88729950

IUPACethyl carbamate;(pentylamino)urea;urea
SMILESCCCCCNNC(N)=O.CCOC(N)=O.NC(N)=O
InChIInChI=1S/C6H15N3O.C3H7NO2.CH4N2O/c1-2-3-4-5-8-9-6(7)10;1-2-6-3(4)5;2-1(3)4/h8H,2-5H2,1H3,(H3,7,9,10);2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyPGUMJTKEXQLOBV-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.53
Rot. Bonds6

About ethyl carbamate;(pentylamino)urea;urea

ethyl carbamate;(pentylamino)urea;urea (PubChem CID 88729950) has the molecular formula C10H26N6O4 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl carbamate;(pentylamino)urea;urea.

Molecular Properties

Compound Nameethyl carbamate;(pentylamino)urea;urea
PubChem CID88729950
Molecular FormulaC10H26N6O4
Molecular Weight294.36 g/mol
Exact Mass294.20
IUPAC Nameethyl carbamate;(pentylamino)urea;urea
SMILESCCCCCNNC(N)=O.CCOC(N)=O.NC(N)=O
InChIInChI=1S/C6H15N3O.C3H7NO2.CH4N2O/c1-2-3-4-5-8-9-6(7)10;1-2-6-3(4)5;2-1(3)4/h8H,2-5H2,1H3,(H3,7,9,10);2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyPGUMJTKEXQLOBV-UHFFFAOYSA-N
XLogP-0.53
TPSA188.58 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;(pentylamino)urea;urea?
The IUPAC name of ethyl carbamate;(pentylamino)urea;urea (CID 88729950) is ethyl carbamate;(pentylamino)urea;urea.
What is the SMILES notation for ethyl carbamate;(pentylamino)urea;urea?
The canonical SMILES for ethyl carbamate;(pentylamino)urea;urea is CCCCCNNC(N)=O.CCOC(N)=O.NC(N)=O.
What is the InChIKey of ethyl carbamate;(pentylamino)urea;urea?
The InChIKey is PGUMJTKEXQLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O.C3H7NO2.CH4N2O/c1-2-3-4-5-8-9-6(7)10;1-2-6-3(4)5;2-1(3)4/h8H,2-5H2,1H3,(H3,7,9,10);2H2,1H3,(H2,4,5);(H4,2,3,4).
What are the key properties of ethyl carbamate;(pentylamino)urea;urea?
ethyl carbamate;(pentylamino)urea;urea has a molecular weight of 294.36 g/mol, XLogP of -0.53, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;(pentylamino)urea;urea is sourced from PubChem (CID 88729950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).