9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate

C24H31NO3 — CID 175503220

IUPAC9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
SMILESCCC(COCCC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H31NO3/c1-4-18(15-27-14-13-17(2)3)25-24(26)28-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,25,26)
InChIKeyBRDGETMZLIGXEC-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.37
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate (PubChem CID 175503220) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
PubChem CID175503220
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
SMILESCCC(COCCC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H31NO3/c1-4-18(15-27-14-13-17(2)3)25-24(26)28-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,25,26)
InChIKeyBRDGETMZLIGXEC-UHFFFAOYSA-N
XLogP5.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylbutoxy)butanoate
CID 168737519
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]-4-methylpentanoic acid
CID 165456603
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
(2S)-3-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 18397404
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate
CID 25188807
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
CID 165499514

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate (CID 175503220) is 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate is CCC(COCCC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate?
The InChIKey is BRDGETMZLIGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-4-18(15-27-14-13-17(2)3)25-24(26)28-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,25,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate has a molecular weight of 381.52 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate is sourced from PubChem (CID 175503220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).