tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate

C15H21NO4 — CID 84730384

IUPACtert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)CCc1cccc(O)c1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-17)8-7-11-5-4-6-13(18)9-11/h4-6,9-10,12,18H,7-8H2,1-3H3,(H,16,19)
InChIKeyRDKCBBNALZFFTC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate

tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate (PubChem CID 84730384) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
PubChem CID84730384
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)CCc1cccc(O)c1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-17)8-7-11-5-4-6-13(18)9-11/h4-6,9-10,12,18H,7-8H2,1-3H3,(H,16,19)
InChIKeyRDKCBBNALZFFTC-UHFFFAOYSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.42
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-[4-(2-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
CID 84730386
tert-butyl N-[4-(2-methylphenyl)-1-oxobutan-2-yl]carbamate
CID 84730312
tert-butyl N-[4-(2-chlorophenyl)-1-oxobutan-2-yl]carbamate
CID 84731009
tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250360
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
benzyl N-[(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 87844984
tert-butyl 4-amino-6-(3-hydroxyphenyl)hexanoate
CID 175506804
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 59013213
tert-butyl N-[(2S)-4-cyano-1-oxobutan-2-yl]carbamate
CID 45092144
tert-butyl N-[(5Z)-6-chloro-1-oxo-5-phenylmethoxyiminohexan-2-yl]carbamate
CID 126709920
tert-butyl N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 51356831
tert-butyl N-[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 54313054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate (CID 84730384) is tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C=O)CCc1cccc(O)c1.
What is the InChIKey of tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate?
The InChIKey is RDKCBBNALZFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-17)8-7-11-5-4-6-13(18)9-11/h4-6,9-10,12,18H,7-8H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-hydroxyphenyl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 84730384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).