methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate

C20H25NO3 — CID 129039211

IUPACmethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(C)C)cc1COc1ccc(C)cc1C
InChIInChI=1S/C20H25NO3/c1-13(2)16-7-8-18(21-20(22)23-5)17(11-16)12-24-19-9-6-14(3)10-15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKeyVTYOSPDZZIKHKH-UHFFFAOYSA-N
MW327.42 g/mol
LogP5.18
Rot. Bonds5

About methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate

methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate (PubChem CID 129039211) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
PubChem CID129039211
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Namemethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(C)C)cc1COc1ccc(C)cc1C
InChIInChI=1S/C20H25NO3/c1-13(2)16-7-8-18(21-20(22)23-5)17(11-16)12-24-19-9-6-14(3)10-15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKeyVTYOSPDZZIKHKH-UHFFFAOYSA-N
XLogP5.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039570
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
S-methyl N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129039729
ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate
CID 158192195
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-methoxyphenyl]carbamothioate
CID 129039222
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamothioate
CID 129039735
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
CID 129039832
N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039431

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate?
The IUPAC name of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate (CID 129039211) is methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate is COC(=O)Nc1ccc(C(C)C)cc1COc1ccc(C)cc1C.
What is the InChIKey of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate?
The InChIKey is VTYOSPDZZIKHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)16-7-8-18(21-20(22)23-5)17(11-16)12-24-19-9-6-14(3)10-15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22).
What are the key properties of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate?
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate is sourced from PubChem (CID 129039211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).