methyl N-(3-prop-2-ynoxyphenyl)carbamate

C11H11NO3 — CID 137320753

IUPACmethyl N-(3-prop-2-ynoxyphenyl)carbamate
SMILESC#CCOc1cccc(NC(=O)OC)c1
InChIInChI=1S/C11H11NO3/c1-3-7-15-10-6-4-5-9(8-10)12-11(13)14-2/h1,4-6,8H,7H2,2H3,(H,12,13)
InChIKeyOYTIJZDZMSNNSC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.88
Rot. Bonds3

About methyl N-(3-prop-2-ynoxyphenyl)carbamate

methyl N-(3-prop-2-ynoxyphenyl)carbamate (PubChem CID 137320753) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl N-(3-prop-2-ynoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-prop-2-ynoxyphenyl)carbamate
PubChem CID137320753
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl N-(3-prop-2-ynoxyphenyl)carbamate
SMILESC#CCOc1cccc(NC(=O)OC)c1
InChIInChI=1S/C11H11NO3/c1-3-7-15-10-6-4-5-9(8-10)12-11(13)14-2/h1,4-6,8H,7H2,2H3,(H,12,13)
InChIKeyOYTIJZDZMSNNSC-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
3-[(2-chloroacetyl)amino]-N-(3-prop-2-ynoxyphenyl)benzamide
CID 146450953
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
methyl 2-ethyl-2-(3-prop-2-ynoxyphenyl)butanoate
CID 54219950
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
1,1-dimethyl-3-[4-(3-prop-2-ynoxyphenoxy)phenyl]urea
CID 20507025
methyl 2-[3-(pent-4-ynoylamino)phenoxy]acetate
CID 114028678
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 71865812
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-prop-2-ynoxyphenyl)carbamate?
The IUPAC name of methyl N-(3-prop-2-ynoxyphenyl)carbamate (CID 137320753) is methyl N-(3-prop-2-ynoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(3-prop-2-ynoxyphenyl)carbamate?
The canonical SMILES for methyl N-(3-prop-2-ynoxyphenyl)carbamate is C#CCOc1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-(3-prop-2-ynoxyphenyl)carbamate?
The InChIKey is OYTIJZDZMSNNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-7-15-10-6-4-5-9(8-10)12-11(13)14-2/h1,4-6,8H,7H2,2H3,(H,12,13).
What are the key properties of methyl N-(3-prop-2-ynoxyphenyl)carbamate?
methyl N-(3-prop-2-ynoxyphenyl)carbamate has a molecular weight of 205.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-prop-2-ynoxyphenyl)carbamate is sourced from PubChem (CID 137320753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).