tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate

C19H29N3O4 — CID 123861594

IUPACtert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate
SMILESCC(=O)NC(C)(C)CC1CNc2cc(NC(=O)OC(C)(C)C)ccc2O1
InChIInChI=1S/C19H29N3O4/c1-12(23)22-19(5,6)10-14-11-20-15-9-13(7-8-16(15)25-14)21-17(24)26-18(2,3)4/h7-9,14,20H,10-11H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyUFDQYKYUHMONOX-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate

tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate (PubChem CID 123861594) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate
PubChem CID123861594
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate
SMILESCC(=O)NC(C)(C)CC1CNc2cc(NC(=O)OC(C)(C)C)ccc2O1
InChIInChI=1S/C19H29N3O4/c1-12(23)22-19(5,6)10-14-11-20-15-9-13(7-8-16(15)25-14)21-17(24)26-18(2,3)4/h7-9,14,20H,10-11H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyUFDQYKYUHMONOX-UHFFFAOYSA-N
XLogP3.51
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate with MolForge

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Related Compounds

2-cyclopropyl-3-[(2S)-6-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-1,4-benzoxazin-2-yl]propanoic acid
CID 131990525
ethyl (2R)-2-methyl-3-[(2S)-6-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-1,4-benzoxazin-2-yl]propanoate
CID 118191640
tert-butyl N-[2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 170916446
[2-[2-methyl-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamic acid
CID 122614885
3-(4-tert-butylphenyl)-N-[2-[(dimethylamino)methyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]prop-2-enamide
CID 76617158
tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
CID 130642262
tert-butyl N-[2-(acetamidomethyl)-4-benzyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 123289391
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-chromen-2-yl]acetate
CID 10854265
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
tert-butyl N-[(2S)-2-(acetamidomethyl)-4-[(5-methyl-2-oxo-1H-pyridin-3-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 118180876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate (CID 123861594) is tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate is CC(=O)NC(C)(C)CC1CNc2cc(NC(=O)OC(C)(C)C)ccc2O1.
What is the InChIKey of tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate?
The InChIKey is UFDQYKYUHMONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12(23)22-19(5,6)10-14-11-20-15-9-13(7-8-16(15)25-14)21-17(24)26-18(2,3)4/h7-9,14,20H,10-11H2,1-6H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate?
tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 123861594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).