[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate

C15H24N2O2 — CID 122189558

IUPAC[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCc1ccccc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-16-15(18)19-12-11-14(17(2)3)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,16,18)
InChIKeyGZKKEWGBUYVYBW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.30
Rot. Bonds7

About [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate

[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate (PubChem CID 122189558) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate
PubChem CID122189558
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCc1ccccc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-16-15(18)19-12-11-14(17(2)3)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,16,18)
InChIKeyGZKKEWGBUYVYBW-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate?
The IUPAC name of [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate (CID 122189558) is [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate?
The canonical SMILES for [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate is CNC(=O)OCCC(CCc1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate?
The InChIKey is GZKKEWGBUYVYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-15(18)19-12-11-14(17(2)3)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,16,18).
What are the key properties of [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate?
[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate is sourced from PubChem (CID 122189558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).