tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide

C18H26N2O5 — CID 162025250

IUPACtert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide
SMILESCc1cc(N2CCOCC2)cc(N(C)C(=O)OC(C)(C)C)c1.O=C=O
InChIInChI=1S/C17H26N2O3.CO2/c1-13-10-14(18(5)16(20)22-17(2,3)4)12-15(11-13)19-6-8-21-9-7-19;2-1-3/h10-12H,6-9H2,1-5H3;
InChIKeyYVHASXHKHXXJRQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide

tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide (PubChem CID 162025250) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide
PubChem CID162025250
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nametert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide
SMILESCc1cc(N2CCOCC2)cc(N(C)C(=O)OC(C)(C)C)c1.O=C=O
InChIInChI=1S/C17H26N2O3.CO2/c1-13-10-14(18(5)16(20)22-17(2,3)4)12-15(11-13)19-6-8-21-9-7-19;2-1-3/h10-12H,6-9H2,1-5H3;
InChIKeyYVHASXHKHXXJRQ-UHFFFAOYSA-N
XLogP2.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
CID 160630611
(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate
CID 174939307
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-[(4-morpholin-4-ylphenyl)methyl]amino]prop-2-ynoate
CID 67985208
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 172607193
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine
CID 159600082
tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate
CID 159361454
methyl 2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylanilino]acetate
CID 66700410
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate
CID 118480309
prop-2-ynyl 5-[methyl-(2,2,2-trifluoroacetyl)amino]-2-morpholin-4-ylbenzoate
CID 91677222
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;4-morpholin-4-yl-2-nitroaniline
CID 160578093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide?
The IUPAC name of tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide (CID 162025250) is tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide.
What is the SMILES notation for tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide?
The canonical SMILES for tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide is Cc1cc(N2CCOCC2)cc(N(C)C(=O)OC(C)(C)C)c1.O=C=O.
What is the InChIKey of tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide?
The InChIKey is YVHASXHKHXXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.CO2/c1-13-10-14(18(5)16(20)22-17(2,3)4)12-15(11-13)19-6-8-21-9-7-19;2-1-3/h10-12H,6-9H2,1-5H3;.
What are the key properties of tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide?
tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide has a molecular weight of 350.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide is sourced from PubChem (CID 162025250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).