2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

C14H23NO3 — CID 58895201

IUPAC2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCCOC)CC1
InChIInChI=1S/C14H23NO3/c1-11(2)13-6-4-12(5-7-13)10-15-14(16)18-9-8-17-3/h4,13H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyNQWHVMRKZJQIEO-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.66
Rot. Bonds6

About 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895201) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895201
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCCOC)CC1
InChIInChI=1S/C14H23NO3/c1-11(2)13-6-4-12(5-7-13)10-15-14(16)18-9-8-17-3/h4,13H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyNQWHVMRKZJQIEO-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895201) is 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OCCOC)CC1.
What is the InChIKey of 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is NQWHVMRKZJQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)13-6-4-12(5-7-13)10-15-14(16)18-9-8-17-3/h4,13H,1,5-10H2,2-3H3,(H,15,16).
What are the key properties of 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).