8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one

C55H80N4O5 — CID 167609117

IUPAC8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cccc2c1OC1(CC1)CN2.CN1C(=O)CCc2ccccc21.CN1CCOc2c1cccc2C(C)(C)C.Cn1c(=O)oc2ccccc21
InChIInChI=1S/C14H19NO.C13H19NO.C10H11NO.C8H7NO2.2C5H12/c1-13(2,3)10-5-4-6-11-12(10)16-14(7-8-14)9-15-11;1-13(2,3)10-6-5-7-11-12(10)15-9-8-14(11)4;1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-5(2,3)4/h4-6,15H,7-9H2,1-3H3;5-7H,8-9H2,1-4H3;2-5H,6-7H2,1H3;2-5H,1H3;2*1-4H3
InChIKeyKUEIXYPURZWBKD-UHFFFAOYSA-N
MW877.27 g/mol
LogP12.97
Rot. Bonds

About 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one

8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 167609117) has the molecular formula C55H80N4O5 and a molecular weight of 877.27 g/mol. Its IUPAC name is 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
PubChem CID167609117
Molecular FormulaC55H80N4O5
Molecular Weight877.27 g/mol
Exact Mass876.61
IUPAC Name8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cccc2c1OC1(CC1)CN2.CN1C(=O)CCc2ccccc21.CN1CCOc2c1cccc2C(C)(C)C.Cn1c(=O)oc2ccccc21
InChIInChI=1S/C14H19NO.C13H19NO.C10H11NO.C8H7NO2.2C5H12/c1-13(2,3)10-5-4-6-11-12(10)16-14(7-8-14)9-15-11;1-13(2,3)10-6-5-7-11-12(10)15-9-8-14(11)4;1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-5(2,3)4/h4-6,15H,7-9H2,1-3H3;5-7H,8-9H2,1-4H3;2-5H,6-7H2,1H3;2-5H,1H3;2*1-4H3
InChIKeyKUEIXYPURZWBKD-UHFFFAOYSA-N
XLogP12.97
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.27
LogP ≤ 512.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N'-[1-[3-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-(3-methoxyphenyl)-N-[1-[3-(2-oxo-1,3-benzoxazol-3-yl)propyl]piperidin-4-yl]pentanediamide
CID 90943705
tert-butyl 3-[4-methoxy-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butoxy]-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidine-1-carboxylate
CID 68499332
tert-butyl 4-[4-[4-(2-ethylphenoxy)butoxy]phenyl]-3-[4-methoxy-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butoxy]piperidine-1-carboxylate
CID 68501897
tert-butyl (3R,4S)-3-[cyclopropyl(2,3-dihydro-1H-indol-3-ylmethyl)carbamoyl]-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]phenyl]piperidine-1-carboxylate
CID 70951636
8-Tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;1-methyl-3,4-dihydroquinolin-2-one;3-methyl-2-methylidene-1,3-benzoxazole
CID 158499120
8-Tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];2,2-dimethylpropane;1-methyl-3,4-dihydroquinolin-2-one
CID 159993662
8-Tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);4-methyl-1,4-benzoxazin-3-one;3-methyl-1,3-benzoxazol-2-one
CID 160109251
4-tert-butyl-1,3-benzodioxole;8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];3,4-dihydro-2H-chromene;tris(2,2-dimethylpropane);4-methyl-1,4-benzoxazin-3-one;3-methyl-1,3-benzoxazol-2-one
CID 160669025
6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 160891063
5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
CID 161138624
3,4,4a,8a-tetrahydro-2H-chromene;4-tert-butyl-1,3-benzodioxole;8-tert-butyl-4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];3,4-dihydro-1H-isochromene;pentakis(2,2-dimethylpropane);1-methyl-3,4-dihydroquinolin-2-one;bis(3-methyl-2-methylidene-1,3-benzoxazole)
CID 167554458
4-tert-butyl-1,3-benzodioxole;8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;tetrakis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
CID 167615772

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one (CID 167609117) is 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one is CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cccc2c1OC1(CC1)CN2.CN1C(=O)CCc2ccccc21.CN1CCOc2c1cccc2C(C)(C)C.Cn1c(=O)oc2ccccc21.
What is the InChIKey of 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is KUEIXYPURZWBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H19NO.C10H11NO.C8H7NO2.2C5H12/c1-13(2,3)10-5-4-6-11-12(10)16-14(7-8-14)9-15-11;1-13(2,3)10-6-5-7-11-12(10)15-9-8-14(11)4;1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-5(2,3)4/h4-6,15H,7-9H2,1-3H3;5-7H,8-9H2,1-4H3;2-5H,6-7H2,1H3;2-5H,1H3;2*1-4H3.
What are the key properties of 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?
8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 877.27 g/mol, XLogP of 12.97, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 167609117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).