[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride

C18H31ClN2O3 — CID 3088520

IUPAC[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)CCCOc1cc(OC(=O)N(C)C)ccc1C(C)(C)C.Cl
InChIInChI=1S/C18H30N2O3.ClH/c1-18(2,3)15-10-9-14(23-17(21)20(6)7)13-16(15)22-12-8-11-19(4)5;/h9-10,13H,8,11-12H2,1-7H3;1H
InChIKeyIQSFFGWPLDJDRF-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.80
Rot. Bonds6

About [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride

[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride (PubChem CID 3088520) has the molecular formula C18H31ClN2O3 and a molecular weight of 358.91 g/mol. Its IUPAC name is [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
PubChem CID3088520
Molecular FormulaC18H31ClN2O3
Molecular Weight358.91 g/mol
Exact Mass358.20
IUPAC Name[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)CCCOc1cc(OC(=O)N(C)C)ccc1C(C)(C)C.Cl
InChIInChI=1S/C18H30N2O3.ClH/c1-18(2,3)15-10-9-14(23-17(21)20(6)7)13-16(15)22-12-8-11-19(4)5;/h9-10,13H,8,11-12H2,1-7H3;1H
InChIKeyIQSFFGWPLDJDRF-UHFFFAOYSA-N
XLogP3.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride (CID 3088520) is [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride is CN(C)CCCOc1cc(OC(=O)N(C)C)ccc1C(C)(C)C.Cl.
What is the InChIKey of [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
The InChIKey is IQSFFGWPLDJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3.ClH/c1-18(2,3)15-10-9-14(23-17(21)20(6)7)13-16(15)22-12-8-11-19(4)5;/h9-10,13H,8,11-12H2,1-7H3;1H.
What are the key properties of [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 3088520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).