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

C14H21NO3 — CID 23021010

IUPACtert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CCCO
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-9-5-4-7-11(12)8-6-10-16/h4-5,7,9,16H,6,8,10H2,1-3H3,(H,15,17)
InChIKeyYLWGCKQFDIRTTL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.96
Rot. Bonds4

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

tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate (PubChem CID 23021010) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
PubChem CID23021010
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CCCO
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-9-5-4-7-11(12)8-6-10-16/h4-5,7,9,16H,6,8,10H2,1-3H3,(H,15,17)
InChIKeyYLWGCKQFDIRTTL-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
CID 123143474
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
CID 71729413
tert-butyl N-(2-formylphenyl)carbamate;tert-butyl N-[2-(hydroxymethyl)phenyl]carbamate
CID 160681330
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CID 100981195
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxooctanoic acid
CID 58119937
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(2-piperazin-1-ylethyl)phenyl]carbamate
CID 117111782
ethyl (E)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pent-2-enoate
CID 11267155
tert-butyl N-[(2S)-1-[2-(4-amino-4-oxobutyl)anilino]-1-oxopropan-2-yl]carbamate
CID 57223733

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate (CID 23021010) is tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1CCCO.
What is the InChIKey of tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate?
The InChIKey is YLWGCKQFDIRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-9-5-4-7-11(12)8-6-10-16/h4-5,7,9,16H,6,8,10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate?
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate is sourced from PubChem (CID 23021010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).