tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate

C14H26N2O4 — CID 19753803

IUPACtert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate
SMILESCN(CCCC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)15(4)7-5-6-12(17)16-8-10-19-11-9-16/h5-11H2,1-4H3
InChIKeyJVLKRTPEOBUMND-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate

tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate (PubChem CID 19753803) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate
PubChem CID19753803
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate
SMILESCN(CCCC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)15(4)7-5-6-12(17)16-8-10-19-11-9-16/h5-11H2,1-4H3
InChIKeyJVLKRTPEOBUMND-UHFFFAOYSA-N
XLogP1.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Boc-4-(morpholine-4-carbonyl)piperidine
CID 3238778
tert-Butyl 2-(2-oxoethyl)morpholine-4-carboxylate
CID 44182320
Tert-butyl 5,5-dimethyl-2-(2-oxoethyl)morpholine-4-carboxylate
CID 177798433
Tert-butyl 4-morpholin-4-yl-4-oxobutanoate
CID 24881835
4-(N-t-butoxycarbonyl-N-methyl-beta-alanyl)morpholine
CID 19753771
4-[5-(N-methyl-N-t-butoxycarbonylamino)valeryl]morpholine
CID 19753882
tert-butyl N-(4-morpholin-4-yl-4-oxobutyl)carbamate
CID 19753897
tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate
CID 51218991
Tert-butyl 3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 53779815
tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 57145037
N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide
CID 57272841
Ethyl 2-[(2-ethoxy-2-oxoethyl)-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]acetate
CID 57579764

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate (CID 19753803) is tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate is CN(CCCC(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate?
The InChIKey is JVLKRTPEOBUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)15(4)7-5-6-12(17)16-8-10-19-11-9-16/h5-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate?
tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-morpholin-4-yl-4-oxobutyl)carbamate is sourced from PubChem (CID 19753803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).