1-butyl-3-(furan-2-carbonylamino)urea

C10H15N3O3 — CID 4642065

IUPAC1-butyl-3-(furan-2-carbonylamino)urea
SMILESCCCCNC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C10H15N3O3/c1-2-3-6-11-10(15)13-12-9(14)8-5-4-7-16-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyASMAKRYUVXHWPZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.02
Rot. Bonds4

About 1-butyl-3-(furan-2-carbonylamino)urea

1-butyl-3-(furan-2-carbonylamino)urea (PubChem CID 4642065) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-butyl-3-(furan-2-carbonylamino)urea.

Molecular Properties

Compound Name1-butyl-3-(furan-2-carbonylamino)urea
PubChem CID4642065
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-butyl-3-(furan-2-carbonylamino)urea
SMILESCCCCNC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C10H15N3O3/c1-2-3-6-11-10(15)13-12-9(14)8-5-4-7-16-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyASMAKRYUVXHWPZ-UHFFFAOYSA-N
XLogP1.02
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide
CID 90109189
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(furan-2-carbonylamino)urea?
The IUPAC name of 1-butyl-3-(furan-2-carbonylamino)urea (CID 4642065) is 1-butyl-3-(furan-2-carbonylamino)urea.
What is the SMILES notation for 1-butyl-3-(furan-2-carbonylamino)urea?
The canonical SMILES for 1-butyl-3-(furan-2-carbonylamino)urea is CCCCNC(=O)NNC(=O)c1ccco1.
What is the InChIKey of 1-butyl-3-(furan-2-carbonylamino)urea?
The InChIKey is ASMAKRYUVXHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-6-11-10(15)13-12-9(14)8-5-4-7-16-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-butyl-3-(furan-2-carbonylamino)urea?
1-butyl-3-(furan-2-carbonylamino)urea has a molecular weight of 225.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(furan-2-carbonylamino)urea is sourced from PubChem (CID 4642065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).