tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate

C12H24N2O4 — CID 75424153

IUPACtert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate
SMILESCC(O)CN(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-9(15)8-14(5)10(16)6-7-13-11(17)18-12(2,3)4/h9,15H,6-8H2,1-5H3,(H,13,17)
InChIKeyMQAPVDUDPRKOQX-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.74
Rot. Bonds5

About tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate (PubChem CID 75424153) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate
PubChem CID75424153
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate
SMILESCC(O)CN(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-9(15)8-14(5)10(16)6-7-13-11(17)18-12(2,3)4/h9,15H,6-8H2,1-5H3,(H,13,17)
InChIKeyMQAPVDUDPRKOQX-UHFFFAOYSA-N
XLogP0.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate (CID 75424153) is tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate is CC(O)CN(C)C(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate?
The InChIKey is MQAPVDUDPRKOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(15)8-14(5)10(16)6-7-13-11(17)18-12(2,3)4/h9,15H,6-8H2,1-5H3,(H,13,17).
What are the key properties of tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 75424153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).