9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate

C27H27NO5 — CID 169470816

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1OC
InChIInChI=1S/C27H27NO5/c1-30-24-15-14-18(25(31-2)26(24)32-3)9-8-16-28-27(29)33-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-15,23H,16-17H2,1-3H3,(H,28,29)
InChIKeyALYIDQNNKLVCMA-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.26
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169470816) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
PubChem CID169470816
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1OC
InChIInChI=1S/C27H27NO5/c1-30-24-15-14-18(25(31-2)26(24)32-3)9-8-16-28-27(29)33-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-15,23H,16-17H2,1-3H3,(H,28,29)
InChIKeyALYIDQNNKLVCMA-UHFFFAOYSA-N
XLogP5.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470090
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CID 169470837
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469647
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469390
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate (CID 169470816) is 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate is COc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1OC.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is ALYIDQNNKLVCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5/c1-30-24-15-14-18(25(31-2)26(24)32-3)9-8-16-28-27(29)33-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-15,23H,16-17H2,1-3H3,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 445.52 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).