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

C17H27NO3 — CID 11716285

IUPACtert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
SMILESCOc1ccc(CCCCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-17(2,3)21-16(19)18-13-7-5-6-8-14-9-11-15(20-4)12-10-14/h9-12H,5-8,13H2,1-4H3,(H,18,19)
InChIKeyQFEGRKFTTYHIGA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.93
Rot. Bonds7

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

tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate (PubChem CID 11716285) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
PubChem CID11716285
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
SMILESCOc1ccc(CCCCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-17(2,3)21-16(19)18-13-7-5-6-8-14-9-11-15(20-4)12-10-14/h9-12H,5-8,13H2,1-4H3,(H,18,19)
InChIKeyQFEGRKFTTYHIGA-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545
tert-butyl N-[3-[[ethylamino-[3-(4-methoxyphenyl)propylamino]methylidene]amino]propyl]carbamate
CID 111886423
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
tert-butyl N-[5-[bis(4-methoxyphenyl)methoxy]pentyl]carbamate
CID 44598010
tert-butyl N-[4-[4-[2-(pentan-3-ylamino)ethoxy]phenyl]butyl]carbamate
CID 142694596
tert-butyl N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]carbamate
CID 91482840
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
tert-butyl N-[6-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]hexyl]carbamate
CID 118612061
tert-butyl N-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]-N-[6-[3-[3-(4-methoxyphenyl)propanoylamino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 86577062
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate (CID 11716285) is tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate is COc1ccc(CCCCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate?
The InChIKey is QFEGRKFTTYHIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)21-16(19)18-13-7-5-6-8-14-9-11-15(20-4)12-10-14/h9-12H,5-8,13H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate?
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate is sourced from PubChem (CID 11716285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).