tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate

C25H35NO5 — CID 44598010

IUPACtert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate
SMILESCOc1ccc(C(OCCCCCNC(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H35NO5/c1-25(2,3)31-24(27)26-17-7-6-8-18-30-23(19-9-13-21(28-4)14-10-19)20-11-15-22(29-5)16-12-20/h9-16,23H,6-8,17-18H2,1-5H3,(H,26,27)
InChIKeyQKVTUDZZGADYTA-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.50
Rot. Bonds11

About tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate

tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate (PubChem CID 44598010) has the molecular formula C25H35NO5 and a molecular weight of 429.56 g/mol. Its IUPAC name is tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate
PubChem CID44598010
Molecular FormulaC25H35NO5
Molecular Weight429.56 g/mol
Exact Mass429.25
IUPAC Nametert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate
SMILESCOc1ccc(C(OCCCCCNC(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H35NO5/c1-25(2,3)31-24(27)26-17-7-6-8-18-30-23(19-9-13-21(28-4)14-10-19)20-11-15-22(29-5)16-12-20/h9-16,23H,6-8,17-18H2,1-5H3,(H,26,27)
InChIKeyQKVTUDZZGADYTA-UHFFFAOYSA-N
XLogP5.50
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate (CID 44598010) is tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate is COc1ccc(C(OCCCCCNC(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate?
The InChIKey is QKVTUDZZGADYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5/c1-25(2,3)31-24(27)26-17-7-6-8-18-30-23(19-9-13-21(28-4)14-10-19)20-11-15-22(29-5)16-12-20/h9-16,23H,6-8,17-18H2,1-5H3,(H,26,27).
What are the key properties of tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate?
tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate has a molecular weight of 429.56 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate is sourced from PubChem (CID 44598010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).