2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate

C13H18N2O3 — CID 83211974

IUPAC2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
SMILESC=CCOc1ccccc1CNCCOC(N)=O
InChIInChI=1S/C13H18N2O3/c1-2-8-17-12-6-4-3-5-11(12)10-15-7-9-18-13(14)16/h2-6,15H,1,7-10H2,(H2,14,16)
InChIKeyMQPHPVDROUZJRH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.44
Rot. Bonds8

About 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate

2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate (PubChem CID 83211974) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
PubChem CID83211974
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
SMILESC=CCOc1ccccc1CNCCOC(N)=O
InChIInChI=1S/C13H18N2O3/c1-2-8-17-12-6-4-3-5-11(12)10-15-7-9-18-13(14)16/h2-6,15H,1,7-10H2,(H2,14,16)
InChIKeyMQPHPVDROUZJRH-UHFFFAOYSA-N
XLogP1.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
2-[[2-(cyanomethoxy)phenyl]methylamino]ethyl carbamate
CID 83211795
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 115581406
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920

Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate (CID 83211974) is 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate is C=CCOc1ccccc1CNCCOC(N)=O.
What is the InChIKey of 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate?
The InChIKey is MQPHPVDROUZJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-8-17-12-6-4-3-5-11(12)10-15-7-9-18-13(14)16/h2-6,15H,1,7-10H2,(H2,14,16).
What are the key properties of 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate?
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).