tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate

C32H40N4O4 — CID 59988289

IUPACtert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate
SMILESCN(CCCc1ccc(CNC(=O)OC(C)(C)C)nc1)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H40N4O4/c1-32(2,3)40-31(38)35-21-24-16-15-23(20-34-24)10-9-18-36(4)19-17-33-30(37)39-22-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-16,20,29H,9-10,17-19,21-22H2,1-4H3,(H,33,37)(H,35,38)
InChIKeyAQWIMXYRKRAUKN-UHFFFAOYSA-N
MW544.70 g/mol
LogP5.51
Rot. Bonds11

About tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate (PubChem CID 59988289) has the molecular formula C32H40N4O4 and a molecular weight of 544.70 g/mol. Its IUPAC name is tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate
PubChem CID59988289
Molecular FormulaC32H40N4O4
Molecular Weight544.70 g/mol
Exact Mass544.30
IUPAC Nametert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate
SMILESCN(CCCc1ccc(CNC(=O)OC(C)(C)C)nc1)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H40N4O4/c1-32(2,3)40-31(38)35-21-24-16-15-23(20-34-24)10-9-18-36(4)19-17-33-30(37)39-22-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-16,20,29H,9-10,17-19,21-22H2,1-4H3,(H,33,37)(H,35,38)
InChIKeyAQWIMXYRKRAUKN-UHFFFAOYSA-N
XLogP5.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]phenyl]methyl]carbamate
CID 59988350
2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
(2S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 149436991
tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate
CID 15450756
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 97047006
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
tert-butyl N-[[4-[3-[2-aminoethyl(methyl)amino]propyl]phenyl]methyl]carbamate
CID 59988344
2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethylcarbamic acid
CID 170354070
tert-butyl N-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)hexyl]carbamate
CID 129024055
tert-butyl N-[7-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)heptyl]carbamate
CID 170367360
tert-butyl N-[6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)hexyl]carbamate
CID 170367359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate (CID 59988289) is tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate is CN(CCCc1ccc(CNC(=O)OC(C)(C)C)nc1)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is AQWIMXYRKRAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O4/c1-32(2,3)40-31(38)35-21-24-16-15-23(20-34-24)10-9-18-36(4)19-17-33-30(37)39-22-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-16,20,29H,9-10,17-19,21-22H2,1-4H3,(H,33,37)(H,35,38).
What are the key properties of tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 544.70 g/mol, XLogP of 5.51, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 59988289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).