tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate

C15H23NO4 — CID 117451587

IUPACtert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
SMILESCOc1cc(CCCO)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12-8-7-11(6-5-9-17)10-13(12)19-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyBHEBKOCDVHVTSU-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.97
Rot. Bonds5

About tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate

tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate (PubChem CID 117451587) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
PubChem CID117451587
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
SMILESCOc1cc(CCCO)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12-8-7-11(6-5-9-17)10-13(12)19-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyBHEBKOCDVHVTSU-UHFFFAOYSA-N
XLogP2.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
CID 117450332
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-[2-methoxy-5-(3-oxopropyl)phenyl]carbamate
CID 117447984
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
CID 117477647
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107241079

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate (CID 117451587) is tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate is COc1cc(CCCO)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate?
The InChIKey is BHEBKOCDVHVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12-8-7-11(6-5-9-17)10-13(12)19-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate?
tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.97, 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-hydroxypropyl)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 117451587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).