tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate

C20H32N2O5 — CID 144947801

IUPACtert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H32N2O5/c1-20(2,3)27-19(24)22-12-7-14-25-13-5-4-6-15-26-17-10-8-16(9-11-17)18(21)23/h8-11H,4-7,12-15H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyXIVUJFDGYDYTJC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.27
Rot. Bonds12

About tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate

tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate (PubChem CID 144947801) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate
PubChem CID144947801
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Nametert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H32N2O5/c1-20(2,3)27-19(24)22-12-7-14-25-13-5-4-6-15-26-17-10-8-16(9-11-17)18(21)23/h8-11H,4-7,12-15H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyXIVUJFDGYDYTJC-UHFFFAOYSA-N
XLogP3.27
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
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CID 23525758
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
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tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[3-(4-aminophenoxy)propyl]carbamate;tert-butyl N-[3-(4-thionitrosophenoxy)propyl]carbamate
CID 160781201
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
tert-butyl N-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170540588
tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
CID 165369012

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate (CID 144947801) is tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCCCCOc1ccc(C(N)=O)cc1.
What is the InChIKey of tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate?
The InChIKey is XIVUJFDGYDYTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-20(2,3)27-19(24)22-12-7-14-25-13-5-4-6-15-26-17-10-8-16(9-11-17)18(21)23/h8-11H,4-7,12-15H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate?
tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 3.27, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate is sourced from PubChem (CID 144947801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).