2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

C34H31NO5 — CID 135250995

IUPAC2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C34H31NO5/c1-24(2)32(36)39-21-20-35-33(37)40-23-22-38-27-18-16-26(17-19-27)34(25-10-4-3-5-11-25)30-14-8-6-12-28(30)29-13-7-9-15-31(29)34/h3-19H,1,20-23H2,2H3,(H,35,37)
InChIKeyDIARHWOEZKNSFN-UHFFFAOYSA-N
MW533.62 g/mol
LogP6.27
Rot. Bonds10

About 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 135250995) has the molecular formula C34H31NO5 and a molecular weight of 533.62 g/mol. Its IUPAC name is 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID135250995
Molecular FormulaC34H31NO5
Molecular Weight533.62 g/mol
Exact Mass533.22
IUPAC Name2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C34H31NO5/c1-24(2)32(36)39-21-20-35-33(37)40-23-22-38-27-18-16-26(17-19-27)34(25-10-4-3-5-11-25)30-14-8-6-12-28(30)29-13-7-9-15-31(29)34/h3-19H,1,20-23H2,2H3,(H,35,37)
InChIKeyDIARHWOEZKNSFN-UHFFFAOYSA-N
XLogP6.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 156747138
2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 59378635
2-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]ethoxy]phenyl]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118331491
3-[2-[4-[2-[3-(2-methylprop-2-enoyloxy)propylcarbamoyloxy]ethoxy]phenyl]ethoxycarbonylamino]propyl 2-methylprop-2-enoate
CID 118331503
2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 129265954
2-methyl-6-[4-[9-[4-(5-methyl-3,4-dioxohex-5-enoxy)phenyl]fluoren-9-yl]phenoxy]hex-1-ene-3,4-dione
CID 66717671
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[2-[2-(3,5-dibromophenoxy)ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 56976207
2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 57069602
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenyl] 2-methylprop-2-eneperoxoate
CID 118227614
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 135250995) is 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is DIARHWOEZKNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO5/c1-24(2)32(36)39-21-20-35-33(37)40-23-22-38-27-18-16-26(17-19-27)34(25-10-4-3-5-11-25)30-14-8-6-12-28(30)29-13-7-9-15-31(29)34/h3-19H,1,20-23H2,2H3,(H,35,37).
What are the key properties of 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 533.62 g/mol, XLogP of 6.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 135250995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).