2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid

C19H23NO4 — CID 90046992

IUPAC2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
SMILESCOCCOc1cccc(-c2ccc(C(C)(C)NC(=O)O)cc2)c1
InChIInChI=1S/C19H23NO4/c1-19(2,20-18(21)22)16-9-7-14(8-10-16)15-5-4-6-17(13-15)24-12-11-23-3/h4-10,13,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyZRCGJXRVTWRJJK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.88
Rot. Bonds7

About 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid

2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid (PubChem CID 90046992) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
PubChem CID90046992
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
SMILESCOCCOc1cccc(-c2ccc(C(C)(C)NC(=O)O)cc2)c1
InChIInChI=1S/C19H23NO4/c1-19(2,20-18(21)22)16-9-7-14(8-10-16)15-5-4-6-17(13-15)24-12-11-23-3/h4-10,13,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyZRCGJXRVTWRJJK-UHFFFAOYSA-N
XLogP3.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid
CID 151277131
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
pyridin-3-yl N-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]propan-2-yl]carbamate
CID 150619709
1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene
CID 135165102
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-phenylpropan-2-ylcarbamic acid
CID 23445609
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
3,5-bis[3-(3-phenylphenoxy)propoxy]benzoic acid
CID 18951535
methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate
CID 57078179
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid?
The IUPAC name of 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid (CID 90046992) is 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid?
The canonical SMILES for 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid is COCCOc1cccc(-c2ccc(C(C)(C)NC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid?
The InChIKey is ZRCGJXRVTWRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,20-18(21)22)16-9-7-14(8-10-16)15-5-4-6-17(13-15)24-12-11-23-3/h4-10,13,20H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid?
2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid has a molecular weight of 329.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid is sourced from PubChem (CID 90046992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).