tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

C18H35N5O4 — CID 10691494

IUPACtert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(CCCN=[N+]=[N-])N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N5O4/c1-14(10-8-12-21-22-19)23(16(25)27-18(5,6)7)13-9-11-20-15(24)26-17(2,3)4/h14H,8-13H2,1-7H3,(H,20,24)
InChIKeyCRPQXGJGIMLYAC-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.62
Rot. Bonds9

About tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (PubChem CID 10691494) has the molecular formula C18H35N5O4 and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
PubChem CID10691494
Molecular FormulaC18H35N5O4
Molecular Weight385.51 g/mol
Exact Mass385.27
IUPAC Nametert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(CCCN=[N+]=[N-])N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N5O4/c1-14(10-8-12-21-22-19)23(16(25)27-18(5,6)7)13-9-11-20-15(24)26-17(2,3)4/h14H,8-13H2,1-7H3,(H,20,24)
InChIKeyCRPQXGJGIMLYAC-UHFFFAOYSA-N
XLogP4.62
TPSA116.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(9-azidononyl)carbamate
CID 138393789
tert-butyl N-[(5S)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 170607029
tert-butyl N-[(5R)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 168911676
tert-butyl N-[(2S)-1-(3-azidopropylamino)-6-(dimethylamino)-1-oxohexan-2-yl]carbamate
CID 175903925
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
2,5-bis[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]pentanoic acid
CID 4712515
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
3-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylcarbamic acid
CID 87982353
tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate
CID 166868802
tert-butyl N-(2-azidobutyl)carbamate
CID 58080290
tert-butyl N-[(5S)-9-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-methyl-6-oxononyl]carbamate
CID 161302032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (CID 10691494) is tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is CC(CCCN=[N+]=[N-])N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The InChIKey is CRPQXGJGIMLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O4/c1-14(10-8-12-21-22-19)23(16(25)27-18(5,6)7)13-9-11-20-15(24)26-17(2,3)4/h14H,8-13H2,1-7H3,(H,20,24).
What are the key properties of tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate has a molecular weight of 385.51 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is sourced from PubChem (CID 10691494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).