butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate

C21H35NO5 — CID 156757449

IUPACbutyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
SMILESCCCCOC(=O)NCCCCCOCCOCCOCc1ccccc1
InChIInChI=1S/C21H35NO5/c1-2-3-14-27-21(23)22-12-8-5-9-13-24-15-16-25-17-18-26-19-20-10-6-4-7-11-20/h4,6-7,10-11H,2-3,5,8-9,12-19H2,1H3,(H,22,23)
InChIKeyXVPMLWOXYGTDQA-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.93
Rot. Bonds17

About butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate

butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate (PubChem CID 156757449) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate.

Molecular Properties

Compound Namebutyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
PubChem CID156757449
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Namebutyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
SMILESCCCCOC(=O)NCCCCCOCCOCCOCc1ccccc1
InChIInChI=1S/C21H35NO5/c1-2-3-14-27-21(23)22-12-8-5-9-13-24-15-16-25-17-18-26-19-20-10-6-4-7-11-20/h4,6-7,10-11H,2-3,5,8-9,12-19H2,1H3,(H,22,23)
InChIKeyXVPMLWOXYGTDQA-UHFFFAOYSA-N
XLogP3.93
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.93
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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Related Compounds

butyl N-(5-phenylpentyl)carbamate
CID 69404409
decyl N-(4-phenylbutyl)carbamate
CID 101211373
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
acetic acid;butoxymethylbenzene
CID 139463153
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267

Frequently Asked Questions

What is the IUPAC name of butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate?
The IUPAC name of butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate (CID 156757449) is butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate.
What is the SMILES notation for butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate?
The canonical SMILES for butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate is CCCCOC(=O)NCCCCCOCCOCCOCc1ccccc1.
What is the InChIKey of butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate?
The InChIKey is XVPMLWOXYGTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO5/c1-2-3-14-27-21(23)22-12-8-5-9-13-24-15-16-25-17-18-26-19-20-10-6-4-7-11-20/h4,6-7,10-11H,2-3,5,8-9,12-19H2,1H3,(H,22,23).
What are the key properties of butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate?
butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate has a molecular weight of 381.51 g/mol, XLogP of 3.93, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate is sourced from PubChem (CID 156757449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).