methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate

C27H25NO5 — CID 169470427

IUPACmethyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H25NO5/c1-31-26(29)18-32-20-14-12-19(13-15-20)7-6-16-28-27(30)33-17-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-15,25H,16-18H2,1H3,(H,28,30)
InChIKeyAWBYPRPQPFSMQH-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.79
Rot. Bonds8

About methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate

methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate (PubChem CID 169470427) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
PubChem CID169470427
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Namemethyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H25NO5/c1-31-26(29)18-32-20-14-12-19(13-15-20)7-6-16-28-27(30)33-17-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-15,25H,16-18H2,1H3,(H,28,30)
InChIKeyAWBYPRPQPFSMQH-UHFFFAOYSA-N
XLogP4.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169469471
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169469405
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-(4-acetyl-3-chlorophenyl)prop-2-enyl]carbamate
CID 169469856
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate (CID 169470427) is methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate is COC(=O)COc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate?
The InChIKey is AWBYPRPQPFSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-31-26(29)18-32-20-14-12-19(13-15-20)7-6-16-28-27(30)33-17-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-15,25H,16-18H2,1H3,(H,28,30).
What are the key properties of methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate?
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate has a molecular weight of 443.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 169470427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).