tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate

C15H29N3O4 — CID 136571480

IUPACtert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate
SMILESCCC(CN1CCOC(C(=O)NC)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-6-11(17-14(20)22-15(2,3)4)9-18-7-8-21-12(10-18)13(19)16-5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyMFYSFFQRZHRPGS-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.74
Rot. Bonds5

About tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate

tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate (PubChem CID 136571480) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate
PubChem CID136571480
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate
SMILESCCC(CN1CCOC(C(=O)NC)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-6-11(17-14(20)22-15(2,3)4)9-18-7-8-21-12(10-18)13(19)16-5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyMFYSFFQRZHRPGS-UHFFFAOYSA-N
XLogP0.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2R)-2-(methylcarbamoyl)morpholin-4-yl]propanoate
CID 129398069
4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
CID 71856712
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-(5-oxoheptan-3-yl)carbamate
CID 163397442
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
4-ethyl-N-[2-(methylamino)ethyl]morpholine-2-carboxamide
CID 119502673
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107250634
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
CID 11832975

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate (CID 136571480) is tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate is CCC(CN1CCOC(C(=O)NC)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate?
The InChIKey is MFYSFFQRZHRPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-6-11(17-14(20)22-15(2,3)4)9-18-7-8-21-12(10-18)13(19)16-5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate?
tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate is sourced from PubChem (CID 136571480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).