tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate

C17H33N3O4 — CID 19754004

IUPACtert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate
SMILESCN(CCCCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O4/c1-17(2,3)24-16(22)19(5)10-8-6-7-9-18(4)15(21)20-11-13-23-14-12-20/h6-14H2,1-5H3
InChIKeyXVTMOIDMUWPFAI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.41
Rot. Bonds6

About tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate

tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate (PubChem CID 19754004) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate
PubChem CID19754004
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate
SMILESCN(CCCCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O4/c1-17(2,3)24-16(22)19(5)10-8-6-7-9-18(4)15(21)20-11-13-23-14-12-20/h6-14H2,1-5H3
InChIKeyXVTMOIDMUWPFAI-UHFFFAOYSA-N
XLogP2.41
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate
CID 170357702
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-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate
CID 19753893
N,N-dihexylmorpholine-4-carboxamide
CID 60152380
tert-butyl N-cyclopentyl-N-(morpholin-4-ylmethyl)carbamate
CID 66859266
Tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 69802872
Tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate
CID 118190462
Tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 118570244
tert-butyl N-(1-cyanopiperidin-2-yl)-N-(2-methoxyethyl)carbamate
CID 123734180
Tert-butyl 4-(2-morpholin-4-ylethoxy)piperidine-1-carboxylate;ethane
CID 143836874
2-[4-[[Ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]ethyl acetate
CID 152442489

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate (CID 19754004) is tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate is CN(CCCCCN(C)C(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate?
The InChIKey is XVTMOIDMUWPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-17(2,3)24-16(22)19(5)10-8-6-7-9-18(4)15(21)20-11-13-23-14-12-20/h6-14H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate?
tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate has a molecular weight of 343.47 g/mol, XLogP of 2.41, 6 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-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate is sourced from PubChem (CID 19754004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).