[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate

C19H27N3O3 — CID 21320013

IUPAC[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
SMILESCNC(=O)OC(C(Oc1ccc(C)c(C)c1)n1ccnc1)C(C)(C)C
InChIInChI=1S/C19H27N3O3/c1-13-7-8-15(11-14(13)2)24-17(22-10-9-21-12-22)16(19(3,4)5)25-18(23)20-6/h7-12,16-17H,1-6H3,(H,20,23)
InChIKeyFCXNWPUXGIZOGP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.85
Rot. Bonds5

About [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate

[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate (PubChem CID 21320013) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
PubChem CID21320013
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
SMILESCNC(=O)OC(C(Oc1ccc(C)c(C)c1)n1ccnc1)C(C)(C)C
InChIInChI=1S/C19H27N3O3/c1-13-7-8-15(11-14(13)2)24-17(22-10-9-21-12-22)16(19(3,4)5)25-18(23)20-6/h7-12,16-17H,1-6H3,(H,20,23)
InChIKeyFCXNWPUXGIZOGP-UHFFFAOYSA-N
XLogP3.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
CID 21320036
[1-imidazol-1-yl-3,3-dimethyl-1-(4-methylsulfanylphenoxy)butan-2-yl] acetate
CID 21320017
[1-imidazol-1-yl-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] acetate
CID 21320024
[1-(4-bromophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] pentanoate
CID 21320016
(1-imidazol-1-yl-3,3-dimethyl-1-phenoxybutan-2-yl) cyclohexanecarboxylate
CID 21320011
4-bromo-4-hydroxy-2-[imidazol-1-yl-(4-phenylphenoxy)methyl]-N,3,3-trimethylbutanamide
CID 70600206
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate
CID 151187469
1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole
CID 23335433
2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid
CID 70309960
[3-[ethoxy(methyl)carbamoyl]oxy-4-imidazol-1-yl-2,2-dimethyl-4-(4-phenylphenoxy)butyl] acetate
CID 54260124
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
CID 122173815
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
The IUPAC name of [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate (CID 21320013) is [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate.
What is the SMILES notation for [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
The canonical SMILES for [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate is CNC(=O)OC(C(Oc1ccc(C)c(C)c1)n1ccnc1)C(C)(C)C.
What is the InChIKey of [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
The InChIKey is FCXNWPUXGIZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-7-8-15(11-14(13)2)24-17(22-10-9-21-12-22)16(19(3,4)5)25-18(23)20-6/h7-12,16-17H,1-6H3,(H,20,23).
What are the key properties of [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate is sourced from PubChem (CID 21320013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).