1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea

C13H15N3O2 — CID 54954990

IUPAC1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
SMILESNc1ccc(NC(=O)NCCc2ccco2)cc1
InChIInChI=1S/C13H15N3O2/c14-10-3-5-11(6-4-10)16-13(17)15-8-7-12-2-1-9-18-12/h1-6,9H,7-8,14H2,(H2,15,16,17)
InChIKeyFTHWQGZQVLTWNT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea

1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea (PubChem CID 54954990) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
PubChem CID54954990
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
SMILESNc1ccc(NC(=O)NCCc2ccco2)cc1
InChIInChI=1S/C13H15N3O2/c14-10-3-5-11(6-4-10)16-13(17)15-8-7-12-2-1-9-18-12/h1-6,9H,7-8,14H2,(H2,15,16,17)
InChIKeyFTHWQGZQVLTWNT-UHFFFAOYSA-N
XLogP2.23
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 74225838
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
1-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea (CID 54954990) is 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea is Nc1ccc(NC(=O)NCCc2ccco2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea?
The InChIKey is FTHWQGZQVLTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-10-3-5-11(6-4-10)16-13(17)15-8-7-12-2-1-9-18-12/h1-6,9H,7-8,14H2,(H2,15,16,17).
What are the key properties of 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea?
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea has a molecular weight of 245.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 54954990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).