9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate

C32H30N2O6 — CID 4582073

IUPAC9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C32H30N2O6/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(33)35)34-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H2,33,35)(H,34,36)
InChIKeyPLPQESFBMMWUKC-UHFFFAOYSA-N
MW538.60 g/mol
LogP5.20
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate

9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate (PubChem CID 4582073) has the molecular formula C32H30N2O6 and a molecular weight of 538.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
PubChem CID4582073
Molecular FormulaC32H30N2O6
Molecular Weight538.60 g/mol
Exact Mass538.21
IUPAC Name9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C32H30N2O6/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(33)35)34-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H2,33,35)(H,34,36)
InChIKeyPLPQESFBMMWUKC-UHFFFAOYSA-N
XLogP5.20
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate (CID 4582073) is 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate is COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(N)=O)cc2)c(OC)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
The InChIKey is PLPQESFBMMWUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O6/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(33)35)34-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H2,33,35)(H,34,36).
What are the key properties of 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate has a molecular weight of 538.60 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[4-(2-amino-2-oxoethoxy)phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 4582073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).