tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate

C17H24N2O3 — CID 107240161

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NCC1CCC=CO1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(20)19-15-10-5-4-9-14(15)18-12-13-8-6-7-11-21-13/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,19,20)
InChIKeyGYPQEVRVWZUCJB-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate (PubChem CID 107240161) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
PubChem CID107240161
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NCC1CCC=CO1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(20)19-15-10-5-4-9-14(15)18-12-13-8-6-7-11-21-13/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,19,20)
InChIKeyGYPQEVRVWZUCJB-UHFFFAOYSA-N
XLogP4.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-Butoxycarbonyl)-1,2-phenylenediamine
CID 676311
2-(Diethylamino)ethyl N-phenylcarbamate
CID 19538
Carbamic acid, phenyl-, 2-(diethylamino)ethyl ester, monohydrochloride
CID 19537
2-(Cyclohexylamino)ethyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1)
CID 49513
Ethanol, 2,2'-(methylimino)bis-, 1,1'-bis(N-phenylcarbamate)
CID 166492
Tert-butyl 1,2,3,4-tetrahydroquinoxaline-1-carboxylate
CID 16740533
Ethanol, 2-(ethylphenylamino)-, 1-(N-phenylcarbamate)
CID 118570
(2-Amino-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester
CID 10491806
Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride
CID 49509
Carbanilic acid, (2-cyclohexylamino-1,1-dimethylethyl) ester, hydrochloride
CID 49511
Carbanilic acid, 2-((1-methylbutyl)amino)ethyl ester, hydrochloride
CID 49523
Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride
CID 49525

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate (CID 107240161) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate?
The InChIKey is GYPQEVRVWZUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(20)19-15-10-5-4-9-14(15)18-12-13-8-6-7-11-21-13/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 107240161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).