tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate

C18H36N2O3 — CID 103930694

IUPACtert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCC(C)C(CNC1CCOC(C(C)C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-12(2)15(20-17(21)23-18(5,6)7)11-19-14-8-9-22-16(10-14)13(3)4/h12-16,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyNBGCYMOZOSVVNB-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate (PubChem CID 103930694) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
PubChem CID103930694
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCC(C)C(CNC1CCOC(C(C)C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-12(2)15(20-17(21)23-18(5,6)7)11-19-14-8-9-22-16(10-14)13(3)4/h12-16,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyNBGCYMOZOSVVNB-UHFFFAOYSA-N
XLogP3.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
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N-tert-butyl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
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2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
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N-propan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
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tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate (CID 103930694) is tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate is CC(C)C(CNC1CCOC(C(C)C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is NBGCYMOZOSVVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-12(2)15(20-17(21)23-18(5,6)7)11-19-14-8-9-22-16(10-14)13(3)4/h12-16,19H,8-11H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 103930694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).