tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate

C15H22N2O4 — CID 131977989

IUPACtert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc2c(c1)OC[C@@H](O)N2
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-7-6-10-4-5-11-12(8-10)20-9-13(18)17-11/h4-5,8,13,17-18H,6-7,9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyONGPWROCCXACKW-CYBMUJFWSA-N
MW294.35 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate

tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate (PubChem CID 131977989) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate
PubChem CID131977989
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc2c(c1)OC[C@@H](O)N2
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-7-6-10-4-5-11-12(8-10)20-9-13(18)17-11/h4-5,8,13,17-18H,6-7,9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyONGPWROCCXACKW-CYBMUJFWSA-N
XLogP1.88
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate (CID 131977989) is tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc2c(c1)OC[C@@H](O)N2.
What is the InChIKey of tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate?
The InChIKey is ONGPWROCCXACKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-7-6-10-4-5-11-12(8-10)20-9-13(18)17-11/h4-5,8,13,17-18H,6-7,9H2,1-3H3,(H,16,19)/t13-/m1/s1.
What are the key properties of tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate?
tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate is sourced from PubChem (CID 131977989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).