9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate

C27H25NO4 — CID 169470090

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C(C)=O)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H25NO4/c1-18(29)19-13-14-26(31-2)20(16-19)8-7-15-28-27(30)32-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-14,16,25H,15,17H2,1-2H3,(H,28,30)
InChIKeySZMSBMKXLZMGQZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.45
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169470090) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID169470090
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C(C)=O)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H25NO4/c1-18(29)19-13-14-26(31-2)20(16-19)8-7-15-28-27(30)32-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-14,16,25H,15,17H2,1-2H3,(H,28,30)
InChIKeySZMSBMKXLZMGQZ-UHFFFAOYSA-N
XLogP5.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
methyl 4-amino-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169470205
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470837
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169469405
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470404
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate (CID 169470090) is 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate is COc1ccc(C(C)=O)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is SZMSBMKXLZMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-18(29)19-13-14-26(31-2)20(16-19)8-7-15-28-27(30)32-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-14,16,25H,15,17H2,1-2H3,(H,28,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 427.50 g/mol, XLogP of 5.45, 7 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-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).