phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate

C14H21NO3 — CID 104625801

IUPACphenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
SMILESCOCCC(C)(C)CNC(=O)Oc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,9-10-17-3)11-15-13(16)18-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyJQVJPCDGLBDQEA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds6

About phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate

phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate (PubChem CID 104625801) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
PubChem CID104625801
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namephenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
SMILESCOCCC(C)(C)CNC(=O)Oc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,9-10-17-3)11-15-13(16)18-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyJQVJPCDGLBDQEA-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 104862833
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
phenyl N-(2-oxopropyl)carbamate
CID 18713777
(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
CID 83824610
phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate
CID 71420541

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate?
The IUPAC name of phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate (CID 104625801) is phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate.
What is the SMILES notation for phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate?
The canonical SMILES for phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate is COCCC(C)(C)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate?
The InChIKey is JQVJPCDGLBDQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,9-10-17-3)11-15-13(16)18-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16).
What are the key properties of phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate?
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate is sourced from PubChem (CID 104625801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).