methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate

C14H21NO3 — CID 4280995

IUPACmethyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)12-6-5-11(3)9-13(12)18-8-7-15-14(16)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyBAVVYPRGSFRFDB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.85
Rot. Bonds5

About methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate

methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate (PubChem CID 4280995) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
PubChem CID4280995
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)12-6-5-11(3)9-13(12)18-8-7-15-14(16)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyBAVVYPRGSFRFDB-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
CID 7303331
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate (CID 4280995) is methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate is COC(=O)NCCOc1cc(C)ccc1C(C)C.
What is the InChIKey of methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate?
The InChIKey is BAVVYPRGSFRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)12-6-5-11(3)9-13(12)18-8-7-15-14(16)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16).
What are the key properties of methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate?
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate is sourced from PubChem (CID 4280995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).