tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate

C16H23NO4 — CID 84730927

IUPACtert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)CCc1ccc(O)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-10-13(11-18)5-4-12-6-8-14(19)9-7-12/h6-9,11,13,19H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyCVCNWODDLYGDKG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.66
Rot. Bonds6

About tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate

tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate (PubChem CID 84730927) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
PubChem CID84730927
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)CCc1ccc(O)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-10-13(11-18)5-4-12-6-8-14(19)9-7-12/h6-9,11,13,19H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyCVCNWODDLYGDKG-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
tert-butyl N-[2,2-difluoro-3-[(4-hydroxyphenyl)methylamino]propyl]carbamate
CID 102809780
tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
CID 86775757
tert-butyl N-[3-(4-chlorophenyl)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 134834483
ditert-butyl (5S)-2-[2-(4-hydroxyphenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate
CID 70977973
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859
methyl (2S)-5-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 164717567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate (CID 84730927) is tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate is CC(C)(C)OC(=O)NCC(C=O)CCc1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate?
The InChIKey is CVCNWODDLYGDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-10-13(11-18)5-4-12-6-8-14(19)9-7-12/h6-9,11,13,19H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate?
tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate is sourced from PubChem (CID 84730927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).