tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate

C15H23NO3 — CID 10015720

IUPACtert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16(10-7-11-17)12-13-8-5-4-6-9-13/h4-6,8-9,17H,7,10-12H2,1-3H3
InChIKeyZPKUIUGWAFVCMC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.81
Rot. Bonds5

About tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate

tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate (PubChem CID 10015720) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
PubChem CID10015720
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16(10-7-11-17)12-13-8-5-4-6-9-13/h4-6,8-9,17H,7,10-12H2,1-3H3
InChIKeyZPKUIUGWAFVCMC-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-(3-hydroxypropyl)-N-[(4-phenoxyphenyl)methyl]carbamate
CID 167461963
tert-butyl N-benzyl-N-[6-(5-hydroxypentylamino)hexyl]carbamate
CID 22006341
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
methyl 6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylhexanoate
CID 59035591
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate (CID 10015720) is tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)N(CCCO)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate?
The InChIKey is ZPKUIUGWAFVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16(10-7-11-17)12-13-8-5-4-6-9-13/h4-6,8-9,17H,7,10-12H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate?
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 10015720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).