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

C20H35ClN2O3 — CID 3088526

IUPAC[4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
SMILESCCN(CC)CCCOc1cc(OC(=O)N(C)C)ccc1C(C)(C)C.Cl
InChIInChI=1S/C20H34N2O3.ClH/c1-8-22(9-2)13-10-14-24-18-15-16(25-19(23)21(6)7)11-12-17(18)20(3,4)5;/h11-12,15H,8-10,13-14H2,1-7H3;1H
InChIKeyGICQHKMTJHHKLN-UHFFFAOYSA-N
MW386.96 g/mol
LogP4.58
Rot. Bonds8

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

[4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride (PubChem CID 3088526) has the molecular formula C20H35ClN2O3 and a molecular weight of 386.96 g/mol. Its IUPAC name is [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
PubChem CID3088526
Molecular FormulaC20H35ClN2O3
Molecular Weight386.96 g/mol
Exact Mass386.23
IUPAC Name[4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
SMILESCCN(CC)CCCOc1cc(OC(=O)N(C)C)ccc1C(C)(C)C.Cl
InChIInChI=1S/C20H34N2O3.ClH/c1-8-22(9-2)13-10-14-24-18-15-16(25-19(23)21(6)7)11-12-17(18)20(3,4)5;/h11-12,15H,8-10,13-14H2,1-7H3;1H
InChIKeyGICQHKMTJHHKLN-UHFFFAOYSA-N
XLogP4.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.96
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-tert-butyl-3-(3-piperidin-1-ylpropoxy)phenyl] N,N-dimethylcarbamate;hydrochloride
CID 3088524
5-acetyloxy-2-[3-(diethylamino)propoxy]benzoic acid;hydrochloride
CID 24838329
2-(3-butoxy-4-tert-butylphenoxy)acetic acid
CID 21097481
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387
[4-[2-[4-(2-methylprop-2-enoyloxy)-2-propoxyphenyl]propan-2-yl]-3-propoxyphenyl] 2-methylprop-2-enoate
CID 70366856
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate
CID 50924219
[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride (CID 3088526) is [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride is CCN(CC)CCCOc1cc(OC(=O)N(C)C)ccc1C(C)(C)C.Cl.
What is the InChIKey of [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
The InChIKey is GICQHKMTJHHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3.ClH/c1-8-22(9-2)13-10-14-24-18-15-16(25-19(23)21(6)7)11-12-17(18)20(3,4)5;/h11-12,15H,8-10,13-14H2,1-7H3;1H.
What are the key properties of [4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride?
[4-tert-butyl-3-[3-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride has a molecular weight of 386.96 g/mol, XLogP of 4.58, 8 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-(diethylamino)propoxy]phenyl] N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 3088526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).