[(2,7-dipropoxyfluoren-9-ylidene)amino]urea

C20H23N3O3 — CID 3467719

IUPAC[(2,7-dipropoxyfluoren-9-ylidene)amino]urea
SMILESCCCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCCC)ccc1-2
InChIInChI=1S/C20H23N3O3/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)22-23-20(21)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H3,21,23,24)
InChIKeyMZZKFEWDVFEGCK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.67
Rot. Bonds7

About [(2,7-dipropoxyfluoren-9-ylidene)amino]urea

[(2,7-dipropoxyfluoren-9-ylidene)amino]urea (PubChem CID 3467719) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [(2,7-dipropoxyfluoren-9-ylidene)amino]urea.

Molecular Properties

Compound Name[(2,7-dipropoxyfluoren-9-ylidene)amino]urea
PubChem CID3467719
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[(2,7-dipropoxyfluoren-9-ylidene)amino]urea
SMILESCCCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCCC)ccc1-2
InChIInChI=1S/C20H23N3O3/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)22-23-20(21)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H3,21,23,24)
InChIKeyMZZKFEWDVFEGCK-UHFFFAOYSA-N
XLogP3.67
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea
CID 3952207
[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
CID 3503046
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
5-propoxy-2-benzofuran-1,3-dione
CID 139672196
3-propoxybenzamide
CID 22311435
2-amino-5-propoxybenzoic acid
CID 12719187
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
CID 56807568
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide
CID 62495956

Frequently Asked Questions

What is the IUPAC name of [(2,7-dipropoxyfluoren-9-ylidene)amino]urea?
The IUPAC name of [(2,7-dipropoxyfluoren-9-ylidene)amino]urea (CID 3467719) is [(2,7-dipropoxyfluoren-9-ylidene)amino]urea.
What is the SMILES notation for [(2,7-dipropoxyfluoren-9-ylidene)amino]urea?
The canonical SMILES for [(2,7-dipropoxyfluoren-9-ylidene)amino]urea is CCCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCCC)ccc1-2.
What is the InChIKey of [(2,7-dipropoxyfluoren-9-ylidene)amino]urea?
The InChIKey is MZZKFEWDVFEGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)22-23-20(21)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H3,21,23,24).
What are the key properties of [(2,7-dipropoxyfluoren-9-ylidene)amino]urea?
[(2,7-dipropoxyfluoren-9-ylidene)amino]urea has a molecular weight of 353.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,7-dipropoxyfluoren-9-ylidene)amino]urea is sourced from PubChem (CID 3467719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).