9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate

C24H29N3O5 — CID 91058630

IUPAC9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate
SMILESCNC(=O)C(CC(=O)NCCCOC)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H29N3O5/c1-25-23(29)21(14-22(28)26-12-7-13-31-2)27-24(30)32-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20-21H,7,12-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyASRLZVVNHAYYEY-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.18
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate (PubChem CID 91058630) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate
PubChem CID91058630
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate
SMILESCNC(=O)C(CC(=O)NCCCOC)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H29N3O5/c1-25-23(29)21(14-22(28)26-12-7-13-31-2)27-24(30)32-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20-21H,7,12-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyASRLZVVNHAYYEY-UHFFFAOYSA-N
XLogP2.18
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.18
H-Bond Donors ≤ 53
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-ylmethyl N-[(2S)-1,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,4-dioxobutan-2-yl]carbamate
CID 71050746
9H-fluoren-9-ylmethyl N-[(3S)-7-(3-methoxypropanoylamino)-2-oxoheptan-3-yl]carbamate
CID 157108550
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]propanoic acid
CID 174211125
tert-butyl N-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate
CID 135015939
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methoxypropylamino)-4-oxobutanoic acid;9H-fluoren-9-ylmethyl N-[1-(1,3-oxazinan-3-yl)-1,4-dioxopentan-3-yl]carbamate
CID 158599974
9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate
CID 118407693
9H-fluoren-9-ylmethyl N-[3-hydroxy-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 70833051
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 167170098
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate (CID 91058630) is 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate is CNC(=O)C(CC(=O)NCCCOC)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate?
The InChIKey is ASRLZVVNHAYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-25-23(29)21(14-22(28)26-12-7-13-31-2)27-24(30)32-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20-21H,7,12-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate has a molecular weight of 439.51 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate is sourced from PubChem (CID 91058630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).