[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate

C34H38N2O8 — CID 167618736

IUPAC[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(NC(=O)OCC2c3cc(C(=O)CCCOC)ccc3-c3ccc(C(=O)CCCOC)cc32)cc1
InChIInChI=1S/C34H38N2O8/c1-35-33(39)43-20-22-8-12-25(13-9-22)36-34(40)44-21-30-28-18-23(31(37)6-4-16-41-2)10-14-26(28)27-15-11-24(19-29(27)30)32(38)7-5-17-42-3/h8-15,18-19,30H,4-7,16-17,20-21H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyMCZVSWOZUAMCNN-UHFFFAOYSA-N
MW602.68 g/mol
LogP6.12
Rot. Bonds15

About [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate

[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate (PubChem CID 167618736) has the molecular formula C34H38N2O8 and a molecular weight of 602.68 g/mol. Its IUPAC name is [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate
PubChem CID167618736
Molecular FormulaC34H38N2O8
Molecular Weight602.68 g/mol
Exact Mass602.26
IUPAC Name[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(NC(=O)OCC2c3cc(C(=O)CCCOC)ccc3-c3ccc(C(=O)CCCOC)cc32)cc1
InChIInChI=1S/C34H38N2O8/c1-35-33(39)43-20-22-8-12-25(13-9-22)36-34(40)44-21-30-28-18-23(31(37)6-4-16-41-2)10-14-26(28)27-15-11-24(19-29(27)30)32(38)7-5-17-42-3/h8-15,18-19,30H,4-7,16-17,20-21H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyMCZVSWOZUAMCNN-UHFFFAOYSA-N
XLogP6.12
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.68
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(3-methoxypropoxy)butanoyl]-7-[4-(4-oxobutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-ethylcarbamate
CID 158588769
[2-[4-(4-hydroxybutoxy)butanoyl]-7-[4-(3-methoxypropoxy)butanoyl]-9H-fluoren-9-yl]methyl acetate
CID 158924255
[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 134381322
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
3-[2-[4-(4-hydroxybutoxy)butanoyl]-7-[4-(3-methoxypropoxy)butanoyl]-9H-fluoren-9-yl]propyl N-ethylcarbamate
CID 158788548
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
[2-[2-(1-ethoxyethoxy)ethylcarbamoyl]-7-(2-propan-2-yloxyethylcarbamoyl)-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 89247588
5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid
CID 165343448
(3,4-dimethoxyphenyl)methyl N-[4-[[4-[(3,4-dimethoxyphenyl)methoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 43835656
1-(3,4-dichlorophenyl)-4-methoxybutan-1-one
CID 65091899
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608

Frequently Asked Questions

What is the IUPAC name of [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate?
The IUPAC name of [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate (CID 167618736) is [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1ccc(NC(=O)OCC2c3cc(C(=O)CCCOC)ccc3-c3ccc(C(=O)CCCOC)cc32)cc1.
What is the InChIKey of [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate?
The InChIKey is MCZVSWOZUAMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O8/c1-35-33(39)43-20-22-8-12-25(13-9-22)36-34(40)44-21-30-28-18-23(31(37)6-4-16-41-2)10-14-26(28)27-15-11-24(19-29(27)30)32(38)7-5-17-42-3/h8-15,18-19,30H,4-7,16-17,20-21H2,1-3H3,(H,35,39)(H,36,40).
What are the key properties of [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate?
[4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate has a molecular weight of 602.68 g/mol, XLogP of 6.12, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2,7-bis(4-methoxybutanoyl)-9H-fluoren-9-yl]methoxycarbonylamino]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 167618736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).