carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate

C18H19NO5 — CID 175567779

IUPACcarbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OCC(=O)OC(N)=O)cc1
InChIInChI=1S/C18H19NO5/c1-18(2,12-3-7-14(20)8-4-12)13-5-9-15(10-6-13)23-11-16(21)24-17(19)22/h3-10,20H,11H2,1-2H3,(H2,19,22)
InChIKeyNQYABDIAMICESF-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.72
Rot. Bonds5

About carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate

carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate (PubChem CID 175567779) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namecarbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
PubChem CID175567779
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namecarbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OCC(=O)OC(N)=O)cc1
InChIInChI=1S/C18H19NO5/c1-18(2,12-3-7-14(20)8-4-12)13-5-9-15(10-6-13)23-11-16(21)24-17(19)22/h3-10,20H,11H2,1-2H3,(H2,19,22)
InChIKeyNQYABDIAMICESF-UHFFFAOYSA-N
XLogP2.72
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
CID 86038981
3-methylbut-2-enyl 2-[4-[2-[4-[2-(3-methylbut-2-enoxy)-2-oxoethoxy]phenyl]propan-2-yl]phenoxy]acetate
CID 54224105
4-[2-[4-(trimethylsilylmethoxy)phenyl]propan-2-yl]phenol
CID 59326359
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 3,3-dimethylbutaneperoxoate
CID 54549761
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-bromo-2-methylpropanoate
CID 101191413
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 9328058
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
CID 91976642
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
The IUPAC name of carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate (CID 175567779) is carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate.
What is the SMILES notation for carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
The canonical SMILES for carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate is CC(C)(c1ccc(O)cc1)c1ccc(OCC(=O)OC(N)=O)cc1.
What is the InChIKey of carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
The InChIKey is NQYABDIAMICESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-18(2,12-3-7-14(20)8-4-12)13-5-9-15(10-6-13)23-11-16(21)24-17(19)22/h3-10,20H,11H2,1-2H3,(H2,19,22).
What are the key properties of carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate has a molecular weight of 329.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate is sourced from PubChem (CID 175567779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).