tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate

C26H37N3O5 — CID 69339425

IUPACtert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2ccccc2c1N(CCN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C26H37N3O5/c1-25(2,3)33-23(30)27-21-12-11-19-9-7-8-10-20(19)22(21)29(24(31)34-26(4,5)6)14-13-28-15-17-32-18-16-28/h7-12H,13-18H2,1-6H3,(H,27,30)
InChIKeyKGUPCKVSBWSOPF-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.26
Rot. Bonds5

About tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 69339425) has the molecular formula C26H37N3O5 and a molecular weight of 471.60 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate
PubChem CID69339425
Molecular FormulaC26H37N3O5
Molecular Weight471.60 g/mol
Exact Mass471.27
IUPAC Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2ccccc2c1N(CCN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C26H37N3O5/c1-25(2,3)33-23(30)27-21-12-11-19-9-7-8-10-20(19)22(21)29(24(31)34-26(4,5)6)14-13-28-15-17-32-18-16-28/h7-12H,13-18H2,1-6H3,(H,27,30)
InChIKeyKGUPCKVSBWSOPF-UHFFFAOYSA-N
XLogP5.26
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate
CID 89358174
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
tert-butyl N-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[5,4-c]pyridin-3-yl)carbamate
CID 90445194
tert-butyl N-(3-morpholin-4-yl-2-nitrophenyl)carbamate
CID 175353189
tert-butyl N-[2-(2-piperazin-1-ylethyl)phenyl]carbamate
CID 117111782
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
2-[[1-(3-morpholin-4-ylpropyl)naphthalen-2-yl]amino]acetamide
CID 71197681
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
CID 18948430
tert-butyl N-[2-[[4-[[3-morpholin-4-ylpropyl(thiophen-3-ylcarbamoyl)amino]methyl]benzoyl]amino]phenyl]carbamate
CID 58001238
tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-3-prop-2-enylindol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
CID 160565573

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate (CID 69339425) is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate is CC(C)(C)OC(=O)Nc1ccc2ccccc2c1N(CCN1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is KGUPCKVSBWSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5/c1-25(2,3)33-23(30)27-21-12-11-19-9-7-8-10-20(19)22(21)29(24(31)34-26(4,5)6)14-13-28-15-17-32-18-16-28/h7-12H,13-18H2,1-6H3,(H,27,30).
What are the key properties of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate?
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 471.60 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 69339425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).