[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea

C20H23N3O5 — CID 3952207

IUPAC[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea
SMILESNC(=O)NN=C1c2cc(OCCCO)ccc2-c2ccc(OCCCO)cc21
InChIInChI=1S/C20H23N3O5/c21-20(26)23-22-19-17-11-13(27-9-1-7-24)3-5-15(17)16-6-4-14(12-18(16)19)28-10-2-8-25/h3-6,11-12,24-25H,1-2,7-10H2,(H3,21,23,26)
InChIKeyNDRBDBIZONMUIB-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.61
Rot. Bonds9

About [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea

[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea (PubChem CID 3952207) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea.

Molecular Properties

Compound Name[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea
PubChem CID3952207
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea
SMILESNC(=O)NN=C1c2cc(OCCCO)ccc2-c2ccc(OCCCO)cc21
InChIInChI=1S/C20H23N3O5/c21-20(26)23-22-19-17-11-13(27-9-1-7-24)3-5-15(17)16-6-4-14(12-18(16)19)28-10-2-8-25/h3-6,11-12,24-25H,1-2,7-10H2,(H3,21,23,26)
InChIKeyNDRBDBIZONMUIB-UHFFFAOYSA-N
XLogP1.61
TPSA126.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea?
The IUPAC name of [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea (CID 3952207) is [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea.
What is the SMILES notation for [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea?
The canonical SMILES for [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea is NC(=O)NN=C1c2cc(OCCCO)ccc2-c2ccc(OCCCO)cc21.
What is the InChIKey of [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea?
The InChIKey is NDRBDBIZONMUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c21-20(26)23-22-19-17-11-13(27-9-1-7-24)3-5-15(17)16-6-4-14(12-18(16)19)28-10-2-8-25/h3-6,11-12,24-25H,1-2,7-10H2,(H3,21,23,26).
What are the key properties of [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea?
[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea has a molecular weight of 385.42 g/mol, XLogP of 1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea is sourced from PubChem (CID 3952207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).