[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate

C22H29NO3 — CID 44551915

IUPAC[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1-c1cccc(OC)c1
InChIInChI=1S/C22H29NO3/c1-7-23(8-2)21(24)26-20-13-12-17(22(3,4)5)15-19(20)16-10-9-11-18(14-16)25-6/h9-15H,7-8H2,1-6H3
InChIKeyQFRPKLNCCJMQBS-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.50
Rot. Bonds5

About [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate

[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate (PubChem CID 44551915) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate
PubChem CID44551915
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1-c1cccc(OC)c1
InChIInChI=1S/C22H29NO3/c1-7-23(8-2)21(24)26-20-13-12-17(22(3,4)5)15-19(20)16-10-9-11-18(14-16)25-6/h9-15H,7-8H2,1-6H3
InChIKeyQFRPKLNCCJMQBS-UHFFFAOYSA-N
XLogP5.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
CID 57278925
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612
[2,6-bis(3-bromophenyl)-4-tert-butylphenyl] N,N-diethylcarbamate
CID 44552085
[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
CID 176513454
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488
3-hydrazinyl-3-[3-(3-methoxyphenyl)-4-methylphenyl]butanamide
CID 143213338
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 11505058
3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide
CID 143213390
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate
CID 101052875
2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
CID 116566096
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate (CID 44551915) is [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1-c1cccc(OC)c1.
What is the InChIKey of [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate?
The InChIKey is QFRPKLNCCJMQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-7-23(8-2)21(24)26-20-13-12-17(22(3,4)5)15-19(20)16-10-9-11-18(14-16)25-6/h9-15H,7-8H2,1-6H3.
What are the key properties of [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate?
[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate has a molecular weight of 355.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 44551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).