1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate

C14H22N2O2 — CID 19083216

IUPAC1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-11(2)8-13(7-10)16(5)9-12(3)18-14(17)15-4/h6-8,12H,9H2,1-5H3,(H,15,17)
InChIKeyXDIIOLIFZDMGHX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.48
Rot. Bonds4

About 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate

1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate (PubChem CID 19083216) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate
PubChem CID19083216
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-11(2)8-13(7-10)16(5)9-12(3)18-14(17)15-4/h6-8,12H,9H2,1-5H3,(H,15,17)
InChIKeyXDIIOLIFZDMGHX-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate?
The IUPAC name of 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate (CID 19083216) is 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate.
What is the SMILES notation for 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate?
The canonical SMILES for 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate is CNC(=O)OC(C)CN(C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate?
The InChIKey is XDIIOLIFZDMGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-11(2)8-13(7-10)16(5)9-12(3)18-14(17)15-4/h6-8,12H,9H2,1-5H3,(H,15,17).
What are the key properties of 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate?
1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate is sourced from PubChem (CID 19083216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).