tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate

C15H30N2O4 — CID 144941924

IUPACtert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(CC(=O)N(C)OC)C(C)C
InChIInChI=1S/C15H30N2O4/c1-9-17(14(19)21-15(4,5)6)12(11(2)3)10-13(18)16(7)20-8/h11-12H,9-10H2,1-8H3
InChIKeyNNQCQHWNLIKTOC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds6

About tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate

tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate (PubChem CID 144941924) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
PubChem CID144941924
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(CC(=O)N(C)OC)C(C)C
InChIInChI=1S/C15H30N2O4/c1-9-17(14(19)21-15(4,5)6)12(11(2)3)10-13(18)16(7)20-8/h11-12H,9-10H2,1-8H3
InChIKeyNNQCQHWNLIKTOC-UHFFFAOYSA-N
XLogP2.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate (CID 144941924) is tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate is CCN(C(=O)OC(C)(C)C)C(CC(=O)N(C)OC)C(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The InChIKey is NNQCQHWNLIKTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-9-17(14(19)21-15(4,5)6)12(11(2)3)10-13(18)16(7)20-8/h11-12H,9-10H2,1-8H3.
What are the key properties of tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 144941924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).