[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate

C17H28N2O2 — CID 122189560

IUPAC[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCCCc1ccccc1)N(C)C
InChIInChI=1S/C17H28N2O2/c1-18-17(20)21-14-13-16(19(2)3)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,18,20)
InChIKeyACNLECJOXSDIBM-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.08
Rot. Bonds9

About [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate

[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate (PubChem CID 122189560) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate
PubChem CID122189560
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCCCc1ccccc1)N(C)C
InChIInChI=1S/C17H28N2O2/c1-18-17(20)21-14-13-16(19(2)3)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,18,20)
InChIKeyACNLECJOXSDIBM-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate?
The IUPAC name of [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate (CID 122189560) is [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate?
The canonical SMILES for [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate is CNC(=O)OCCC(CCCCc1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate?
The InChIKey is ACNLECJOXSDIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18-17(20)21-14-13-16(19(2)3)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,18,20).
What are the key properties of [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate?
[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate has a molecular weight of 292.42 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate is sourced from PubChem (CID 122189560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).