9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate

C28H29NO4 — CID 90136782

IUPAC9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate
SMILESCC(=O)c1ccc(OCCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO4/c1-20(30)21-13-15-22(16-14-21)32-18-8-2-7-17-29-28(31)33-19-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h3-6,9-16,27H,2,7-8,17-19H2,1H3,(H,29,31)
InChIKeyRCZHQSFVZMXMRW-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.98
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate

9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate (PubChem CID 90136782) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate
PubChem CID90136782
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate
SMILESCC(=O)c1ccc(OCCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO4/c1-20(30)21-13-15-22(16-14-21)32-18-8-2-7-17-29-28(31)33-19-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h3-6,9-16,27H,2,7-8,17-19H2,1H3,(H,29,31)
InChIKeyRCZHQSFVZMXMRW-UHFFFAOYSA-N
XLogP5.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[2-[4-[4-(4-bromophenoxy)butylamino]-4-oxobutoxy]ethyl]carbamate
CID 164944106
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
S-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl] ethanethioate
CID 23597232
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
CID 89246029
3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]butoxy]propylazanium chloride
CID 146015289

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate (CID 90136782) is 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate is CC(=O)c1ccc(OCCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate?
The InChIKey is RCZHQSFVZMXMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-20(30)21-13-15-22(16-14-21)32-18-8-2-7-17-29-28(31)33-19-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h3-6,9-16,27H,2,7-8,17-19H2,1H3,(H,29,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate?
9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate has a molecular weight of 443.54 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate is sourced from PubChem (CID 90136782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).