ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid

C19H23NO3 — CID 69347425

IUPACethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid
SMILESCCN(C(=O)O)c1ccc(-c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-4-20(19(21)22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyXRNNWWJGYUOBNF-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.89
Rot. Bonds6

About ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid

ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid (PubChem CID 69347425) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid
PubChem CID69347425
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid
SMILESCCN(C(=O)O)c1ccc(-c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-4-20(19(21)22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyXRNNWWJGYUOBNF-UHFFFAOYSA-N
XLogP4.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
3-(hydroxymethyl)-2-methylidene-4-(2-phenylphenoxy)butanoic acid
CID 118471959
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
CID 167136873
ethyl-(2-propan-2-yloxyphenyl)carbamic acid
CID 57185215
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54823853
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
3-bromo-N-[2-(N-[3-bromo-4-(2-methylpropoxy)benzoyl]anilino)ethyl]-4-(2-methylpropoxy)-N-phenylbenzamide
CID 17352584
N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide
CID 102087001
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid?
The IUPAC name of ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid (CID 69347425) is ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid.
What is the SMILES notation for ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid?
The canonical SMILES for ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid is CCN(C(=O)O)c1ccc(-c2ccccc2OCC(C)C)cc1.
What is the InChIKey of ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid?
The InChIKey is XRNNWWJGYUOBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-20(19(21)22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid?
ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid has a molecular weight of 313.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid is sourced from PubChem (CID 69347425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).