9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate

C25H24N2O3 — CID 169469647

IUPAC9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1
InChIInChI=1S/C25H24N2O3/c1-17-18(13-14-24(27-17)29-2)8-7-15-26-25(28)30-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-14,23H,15-16H2,1-2H3,(H,26,28)
InChIKeyAVEUZKISLVWBMA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.95
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169469647) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
PubChem CID169469647
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1
InChIInChI=1S/C25H24N2O3/c1-17-18(13-14-24(27-17)29-2)8-7-15-26-25(28)30-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-14,23H,15-16H2,1-2H3,(H,26,28)
InChIKeyAVEUZKISLVWBMA-UHFFFAOYSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
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
CID 169469405
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
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
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470837
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169470899

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate (CID 169469647) is 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate is COc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is AVEUZKISLVWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-18(13-14-24(27-17)29-2)8-7-15-26-25(28)30-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-14,23H,15-16H2,1-2H3,(H,26,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).