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

C16H31N3O4 — CID 19753787

IUPACtert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
SMILESCN(CCCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)18(5)9-7-6-8-17(4)14(20)19-10-12-22-13-11-19/h6-13H2,1-5H3
InChIKeyQXVIMCQPMMTZDU-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.02
Rot. Bonds5

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

tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate (PubChem CID 19753787) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
PubChem CID19753787
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Nametert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
SMILESCN(CCCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)18(5)9-7-6-8-17(4)14(20)19-10-12-22-13-11-19/h6-13H2,1-5H3
InChIKeyQXVIMCQPMMTZDU-UHFFFAOYSA-N
XLogP2.02
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate
CID 18988036
N-(5-aminopentyl)-N-methylmorpholine-4-carboxamide
CID 107206795
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
CID 174283241
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane
CID 143443518
[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate
CID 170985950
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate (CID 19753787) is tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate is CN(CCCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate?
The InChIKey is QXVIMCQPMMTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)18(5)9-7-6-8-17(4)14(20)19-10-12-22-13-11-19/h6-13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate?
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 2.02, 5 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-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate is sourced from PubChem (CID 19753787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).