9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate

C28H36N2O5 — CID 90334145

IUPAC9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate
SMILESCCC(C)C(=O)CCC(=O)NCCCOCCCNC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H36N2O5/c1-3-20(2)25(31)14-15-26(32)29-16-8-18-34-19-9-17-30-28(33)35-27-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27/h4-7,10-13,20,27H,3,8-9,14-19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyILLPWEFOZRTZFR-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.79
Rot. Bonds14

About 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate

9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate (PubChem CID 90334145) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate
PubChem CID90334145
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate
SMILESCCC(C)C(=O)CCC(=O)NCCCOCCCNC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H36N2O5/c1-3-20(2)25(31)14-15-26(32)29-16-8-18-34-19-9-17-30-28(33)35-27-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27/h4-7,10-13,20,27H,3,8-9,14-19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyILLPWEFOZRTZFR-UHFFFAOYSA-N
XLogP4.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
CID 174211270
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
CID 132580669
2-[2-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid
CID 68671460
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 172529557
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
2-[2-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate
CID 159342393
9H-fluoren-9-ylmethyl N-[2-[4-[4-(4-bromophenoxy)butylamino]-4-oxobutoxy]ethyl]carbamate
CID 164944106
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate (CID 90334145) is 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate is CCC(C)C(=O)CCC(=O)NCCCOCCCNC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate?
The InChIKey is ILLPWEFOZRTZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-3-20(2)25(31)14-15-26(32)29-16-8-18-34-19-9-17-30-28(33)35-27-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27/h4-7,10-13,20,27H,3,8-9,14-19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate?
9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate has a molecular weight of 480.61 g/mol, XLogP of 4.79, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate is sourced from PubChem (CID 90334145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).