tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate

C24H48N4O6 — CID 15734703

IUPACtert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate
SMILESCCCCNC(=O)OCCN(CCCCCNC(=O)OC(C)(C)C)CCOC(=O)NCCCC
InChIInChI=1S/C24H48N4O6/c1-6-8-13-25-21(29)32-19-17-28(18-20-33-22(30)26-14-9-7-2)16-12-10-11-15-27-23(31)34-24(3,4)5/h6-20H2,1-5H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyRMQNGHCLTHQUSU-UHFFFAOYSA-N
MW488.67 g/mol
LogP4.04
Rot. Bonds18

About tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate

tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate (PubChem CID 15734703) has the molecular formula C24H48N4O6 and a molecular weight of 488.67 g/mol. Its IUPAC name is tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate
PubChem CID15734703
Molecular FormulaC24H48N4O6
Molecular Weight488.67 g/mol
Exact Mass488.36
IUPAC Nametert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate
SMILESCCCCNC(=O)OCCN(CCCCCNC(=O)OC(C)(C)C)CCOC(=O)NCCCC
InChIInChI=1S/C24H48N4O6/c1-6-8-13-25-21(29)32-19-17-28(18-20-33-22(30)26-14-9-7-2)16-12-10-11-15-27-23(31)34-24(3,4)5/h6-20H2,1-5H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyRMQNGHCLTHQUSU-UHFFFAOYSA-N
XLogP4.04
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.67
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 71495
CID 71495
CID 121260
CID 121260
CID 71496
CID 71496
CID 33911
CID 33911
CID 118721809
CID 118721809
CID 118721812
CID 118721812
CID 118721815
CID 118721815
CID 122549902
CID 122549902
CID 6455621
CID 6455621
CID 3088658
CID 3088658
CID 138319501
CID 138319501
CID 145453355
CID 145453355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate (CID 15734703) is tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate is CCCCNC(=O)OCCN(CCCCCNC(=O)OC(C)(C)C)CCOC(=O)NCCCC.
What is the InChIKey of tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate?
The InChIKey is RMQNGHCLTHQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O6/c1-6-8-13-25-21(29)32-19-17-28(18-20-33-22(30)26-14-9-7-2)16-12-10-11-15-27-23(31)34-24(3,4)5/h6-20H2,1-5H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate?
tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate has a molecular weight of 488.67 g/mol, XLogP of 4.04, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate is sourced from PubChem (CID 15734703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).