tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate

C18H31NO3Si — CID 10640703

IUPACtri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
SMILESCC(C)[Si](OC(=O)NCCc1cccc(O)c1)(C(C)C)C(C)C
InChIInChI=1S/C18H31NO3Si/c1-13(2)23(14(3)4,15(5)6)22-18(21)19-11-10-16-8-7-9-17(20)12-16/h7-9,12-15,20H,10-11H2,1-6H3,(H,19,21)
InChIKeyZMZYSHPDAQEFLY-UHFFFAOYSA-N
MW337.54 g/mol
LogP4.84
Rot. Bonds7

About tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate

tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate (PubChem CID 10640703) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
PubChem CID10640703
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Nametri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
SMILESCC(C)[Si](OC(=O)NCCc1cccc(O)c1)(C(C)C)C(C)C
InChIInChI=1S/C18H31NO3Si/c1-13(2)23(14(3)4,15(5)6)22-18(21)19-11-10-16-8-7-9-17(20)12-16/h7-9,12-15,20H,10-11H2,1-6H3,(H,19,21)
InChIKeyZMZYSHPDAQEFLY-UHFFFAOYSA-N
XLogP4.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
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ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
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N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
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CID 110482144
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
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3-[2-(propan-2-yloxycarbonylamino)ethyl]benzoic acid
CID 63795289
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
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N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482292

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate (CID 10640703) is tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate is CC(C)[Si](OC(=O)NCCc1cccc(O)c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate?
The InChIKey is ZMZYSHPDAQEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-13(2)23(14(3)4,15(5)6)22-18(21)19-11-10-16-8-7-9-17(20)12-16/h7-9,12-15,20H,10-11H2,1-6H3,(H,19,21).
What are the key properties of tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate?
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate has a molecular weight of 337.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 10640703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).