tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate

C15H29N3O4 — CID 19753893

IUPACtert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate
SMILESCN(CCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(5)8-6-7-16(4)13(19)18-9-11-21-12-10-18/h6-12H2,1-5H3
InChIKeyXZEXVCKDCQVGGG-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.63
Rot. Bonds4

About tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate

tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate (PubChem CID 19753893) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate
PubChem CID19753893
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate
SMILESCN(CCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(5)8-6-7-16(4)13(19)18-9-11-21-12-10-18/h6-12H2,1-5H3
InChIKeyXZEXVCKDCQVGGG-UHFFFAOYSA-N
XLogP1.63
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(aminomethyl)-2-methylmorpholine-4-carboxylate
CID 132327974
tert-butyl N-methyl-N-[2-methyl-3-[(2-methylmorpholine-4-carbonyl)amino]propyl]carbamate
CID 72018526
(1,3-Diacetyl-1,3-diazinan-5-yl) acetate
CID 10585439
Tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 10017629
DI-Tert-butyl 5-hydroxydihydropyrimidine-1,3(2H,4H)-dicarboxylate
CID 10638103
Ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate
CID 14885015
1-(t-Butyloxycarbonyl)-4-(4-morpholinecarbonyl)-1,4-diazepane
CID 15538285
4-(N-t-butoxycarbonyl-N-methyl-beta-alanyl)morpholine
CID 19753771
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
N-t-butoxycarbonyl-N'-(morpholinocarbonyl)-N,N'-dimethylethylenediamine
CID 19753841
tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate
CID 19754004
1,1-Diethyl-3-methyl-3-(3-morpholin-4-ylpropyl)urea
CID 20303045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate (CID 19753893) is tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate is CN(CCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate?
The InChIKey is XZEXVCKDCQVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(5)8-6-7-16(4)13(19)18-9-11-21-12-10-18/h6-12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate?
tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 1.63, 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-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate is sourced from PubChem (CID 19753893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).