tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate

C20H31NO4 — CID 174577051

IUPACtert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate
SMILESCC(CN(Cc1ccccc1)C(=O)OC(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C20H31NO4/c1-15(17-14-23-20(5,6)24-17)12-21(18(22)25-19(2,3)4)13-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3
InChIKeyBGOUQBDILUALBY-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.21
Rot. Bonds5

About tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate

tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate (PubChem CID 174577051) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate
PubChem CID174577051
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Nametert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate
SMILESCC(CN(Cc1ccccc1)C(=O)OC(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C20H31NO4/c1-15(17-14-23-20(5,6)24-17)12-21(18(22)25-19(2,3)4)13-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3
InChIKeyBGOUQBDILUALBY-UHFFFAOYSA-N
XLogP4.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate (CID 174577051) is tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate is CC(CN(Cc1ccccc1)C(=O)OC(C)(C)C)C1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate?
The InChIKey is BGOUQBDILUALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-15(17-14-23-20(5,6)24-17)12-21(18(22)25-19(2,3)4)13-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3.
What are the key properties of tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate?
tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate has a molecular weight of 349.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate is sourced from PubChem (CID 174577051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).