methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate

C24H21NO4 — CID 24720878

IUPACmethyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C24H21NO4/c1-28-23(26)17-12-10-16(11-13-17)14-25-24(27)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,25,27)
InChIKeyOBCKJSMKDSHPPN-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.51
Rot. Bonds5

About methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate

methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate (PubChem CID 24720878) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
PubChem CID24720878
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namemethyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C24H21NO4/c1-28-23(26)17-12-10-16(11-13-17)14-25-24(27)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,25,27)
InChIKeyOBCKJSMKDSHPPN-UHFFFAOYSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
9H-fluoren-9-ylmethyl N-[[4-[(3,4-dimethoxyphenyl)methyl-methylcarbamoyl]phenyl]methyl]carbamate
CID 59704031
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]propanoic acid
CID 167718170
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4-fluorobenzoate
CID 170834723
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
CID 170834215
methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169469992
methyl 4-amino-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169470205
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
CID 15339929

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate (CID 24720878) is methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate is COC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate?
The InChIKey is OBCKJSMKDSHPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-23(26)17-12-10-16(11-13-17)14-25-24(27)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,25,27).
What are the key properties of methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate?
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate has a molecular weight of 387.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate is sourced from PubChem (CID 24720878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).