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

C18H21NO3 — CID 52688698

IUPACmethyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)15-6-4-14(5-7-15)12-22-17-10-8-16(9-11-17)19-18(20)21-3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyUUJQBANFWCAWGG-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.57
Rot. Bonds5

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

methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate (PubChem CID 52688698) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
PubChem CID52688698
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)15-6-4-14(5-7-15)12-22-17-10-8-16(9-11-17)19-18(20)21-3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyUUJQBANFWCAWGG-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate (CID 52688698) is methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate?
The InChIKey is UUJQBANFWCAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(2)15-6-4-14(5-7-15)12-22-17-10-8-16(9-11-17)19-18(20)21-3/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate?
methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 52688698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).