9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate

C28H32N2O6 — CID 165091322

IUPAC9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate
SMILESCC(=O)CCC(NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)=O)C(C)=O
InChIInChI=1S/C28H32N2O6/c1-17(31)12-13-25(18(2)32)29-27(34)15-14-26(19(3)33)30-28(35)36-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,24-26H,12-16H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyWTIMGEGADCCIEA-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.71
Rot. Bonds12

About 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate (PubChem CID 165091322) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate
PubChem CID165091322
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate
SMILESCC(=O)CCC(NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)=O)C(C)=O
InChIInChI=1S/C28H32N2O6/c1-17(31)12-13-25(18(2)32)29-27(34)15-14-26(19(3)33)30-28(35)36-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,24-26H,12-16H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyWTIMGEGADCCIEA-UHFFFAOYSA-N
XLogP3.71
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-1-[methoxy(methyl)amino]-1,5-dioxohexan-2-yl]carbamate
CID 59337601
methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 167321881
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 59837877
9H-fluoren-9-ylmethyl N-[(2R)-1-[[4-(aminomethyl)phenyl]methylamino]-1,5-dioxohexan-2-yl]carbamate
CID 58991303
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxobutane-1-sulfonic acid
CID 121480446
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxobutane-1-sulfonic acid
CID 121480433
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
9H-fluoren-9-ylmethyl N-[(3S)-7-(3-methoxypropanoylamino)-2-oxoheptan-3-yl]carbamate
CID 157108550
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
5-anilino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 85181857

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate (CID 165091322) is 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate is CC(=O)CCC(NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)=O)C(C)=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate?
The InChIKey is WTIMGEGADCCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-17(31)12-13-25(18(2)32)29-27(34)15-14-26(19(3)33)30-28(35)36-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,24-26H,12-16H2,1-3H3,(H,29,34)(H,30,35).
What are the key properties of 9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate has a molecular weight of 492.57 g/mol, XLogP of 3.71, 12 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-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate is sourced from PubChem (CID 165091322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).