ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate

C14H21NO3 — CID 110782911

IUPACethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)15-9-12-7-6-11(10(2)3)8-13(12)17-4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyMABCAZGMNLLVEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.06
Rot. Bonds5

About ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate

ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate (PubChem CID 110782911) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
PubChem CID110782911
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)15-9-12-7-6-11(10(2)3)8-13(12)17-4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyMABCAZGMNLLVEP-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110794193
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
methyl N-[(2-chloro-4-propan-2-ylphenyl)methyl]carbamate
CID 22975171
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate (CID 110782911) is ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate is CCOC(=O)NCc1ccc(C(C)C)cc1OC.
What is the InChIKey of ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate?
The InChIKey is MABCAZGMNLLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-14(16)15-9-12-7-6-11(10(2)3)8-13(12)17-4/h6-8,10H,5,9H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate?
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 110782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).