methyl N-[3-(3-hydroxyphenyl)propyl]carbamate

C11H15NO3 — CID 110667269

IUPACmethyl N-[3-(3-hydroxyphenyl)propyl]carbamate
SMILESCOC(=O)NCCCc1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-15-11(14)12-7-3-5-9-4-2-6-10(13)8-9/h2,4,6,8,13H,3,5,7H2,1H3,(H,12,14)
InChIKeyCNZWCJYVDAYXOM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.68
Rot. Bonds4

About methyl N-[3-(3-hydroxyphenyl)propyl]carbamate

methyl N-[3-(3-hydroxyphenyl)propyl]carbamate (PubChem CID 110667269) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl N-[3-(3-hydroxyphenyl)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(3-hydroxyphenyl)propyl]carbamate
PubChem CID110667269
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl N-[3-(3-hydroxyphenyl)propyl]carbamate
SMILESCOC(=O)NCCCc1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-15-11(14)12-7-3-5-9-4-2-6-10(13)8-9/h2,4,6,8,13H,3,5,7H2,1H3,(H,12,14)
InChIKeyCNZWCJYVDAYXOM-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.68
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

methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
CID 110667285
ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
CID 110481887
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(3-hydroxyphenyl)propyl]carbamate?
The IUPAC name of methyl N-[3-(3-hydroxyphenyl)propyl]carbamate (CID 110667269) is methyl N-[3-(3-hydroxyphenyl)propyl]carbamate.
What is the SMILES notation for methyl N-[3-(3-hydroxyphenyl)propyl]carbamate?
The canonical SMILES for methyl N-[3-(3-hydroxyphenyl)propyl]carbamate is COC(=O)NCCCc1cccc(O)c1.
What is the InChIKey of methyl N-[3-(3-hydroxyphenyl)propyl]carbamate?
The InChIKey is CNZWCJYVDAYXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-11(14)12-7-3-5-9-4-2-6-10(13)8-9/h2,4,6,8,13H,3,5,7H2,1H3,(H,12,14).
What are the key properties of methyl N-[3-(3-hydroxyphenyl)propyl]carbamate?
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(3-hydroxyphenyl)propyl]carbamate is sourced from PubChem (CID 110667269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).