9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate

C27H27NO3 — CID 169469871

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
SMILESCOc1c(C)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C27H27NO3/c1-18-15-20(16-19(2)26(18)30-3)9-8-14-28-27(29)31-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h4-13,15-16,25H,14,17H2,1-3H3,(H,28,29)
InChIKeyMQXDMDQMPMHLMH-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.86
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate (PubChem CID 169469871) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
PubChem CID169469871
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
SMILESCOc1c(C)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C27H27NO3/c1-18-15-20(16-19(2)26(18)30-3)9-8-14-28-27(29)31-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h4-13,15-16,25H,14,17H2,1-3H3,(H,28,29)
InChIKeyMQXDMDQMPMHLMH-UHFFFAOYSA-N
XLogP5.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
CID 169469467
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
CID 169470820
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470404
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470711
9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate (CID 169469871) is 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate is COc1c(C)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate?
The InChIKey is MQXDMDQMPMHLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-18-15-20(16-19(2)26(18)30-3)9-8-14-28-27(29)31-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h4-13,15-16,25H,14,17H2,1-3H3,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate has a molecular weight of 413.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).