tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate

C21H30N2O3 — CID 102588129

IUPACtert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate
SMILESCc1cc2c(cc1C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N1CCOCC1)C=C2
InChIInChI=1S/C21H30N2O3/c1-14-12-16-6-7-18(23-8-10-25-11-9-23)19(17(16)13-15(14)2)22-20(24)26-21(3,4)5/h6-7,12-13,18-19H,8-11H2,1-5H3,(H,22,24)/t18-,19-/m0/s1
InChIKeySYXSTLNVXBSZMR-OALUTQOASA-N
MW358.48 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate

tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate (PubChem CID 102588129) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate
PubChem CID102588129
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nametert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate
SMILESCc1cc2c(cc1C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N1CCOCC1)C=C2
InChIInChI=1S/C21H30N2O3/c1-14-12-16-6-7-18(23-8-10-25-11-9-23)19(17(16)13-15(14)2)22-20(24)26-21(3,4)5/h6-7,12-13,18-19H,8-11H2,1-5H3,(H,22,24)/t18-,19-/m0/s1
InChIKeySYXSTLNVXBSZMR-OALUTQOASA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-6,7-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]-1,2-dihydronaphthalen-1-yl]carbamate
CID 132508324
tert-butyl N-[(1S,2R)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-yl]carbamate
CID 11326505
tert-butyl N-[(3S,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]carbamate
CID 97071959
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-(5-morpholin-4-yl-3,4-dihydro-2H-pyran-3-yl)carbamate
CID 145406239
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
CID 130985784
tert-butyl N-[(1R,2R)-6,7-difluoro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentylamino)-1,2-dihydronaphthalen-1-yl]carbamate
CID 132508320
tert-butyl N-[(2R,3S)-5-morpholin-4-yl-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 118613918
tert-butyl N-[(1R,2S)-6,7-dibromo-2-(2-phenylethynyl)-1,2-dihydronaphthalen-1-yl]carbamate
CID 134948270
tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
CID 67358967
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate (CID 102588129) is tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate is Cc1cc2c(cc1C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N1CCOCC1)C=C2.
What is the InChIKey of tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
The InChIKey is SYXSTLNVXBSZMR-OALUTQOASA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14-12-16-6-7-18(23-8-10-25-11-9-23)19(17(16)13-15(14)2)22-20(24)26-21(3,4)5/h6-7,12-13,18-19H,8-11H2,1-5H3,(H,22,24)/t18-,19-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate has a molecular weight of 358.48 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-6,7-dimethyl-2-morpholin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 102588129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).