1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea

C14H13N3O3 — CID 695806

IUPAC1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
SMILESO=C(/C=C/c1ccco1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3/c18-13(9-8-12-7-4-10-20-12)16-17-14(19)15-11-5-2-1-3-6-11/h1-10H,(H,16,18)(H2,15,17,19)/b9-8+
InChIKeyCFUPNCDOPBYQIS-CMDGGOBGSA-N
MW271.28 g/mol
LogP2.15
Rot. Bonds3

About 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea

1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea (PubChem CID 695806) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
PubChem CID695806
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
SMILESO=C(/C=C/c1ccco1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3/c18-13(9-8-12-7-4-10-20-12)16-17-14(19)15-11-5-2-1-3-6-11/h1-10H,(H,16,18)(H2,15,17,19)/b9-8+
InChIKeyCFUPNCDOPBYQIS-CMDGGOBGSA-N
XLogP2.15
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
CID 6134574
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 92958877
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid
CID 3113746
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea?
The IUPAC name of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea (CID 695806) is 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea is O=C(/C=C/c1ccco1)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea?
The InChIKey is CFUPNCDOPBYQIS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(9-8-12-7-4-10-20-12)16-17-14(19)15-11-5-2-1-3-6-11/h1-10H,(H,16,18)(H2,15,17,19)/b9-8+.
What are the key properties of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea?
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea has a molecular weight of 271.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea is sourced from PubChem (CID 695806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).