[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate

C17H23NO4 — CID 25163151

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccco1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H23NO4/c1-12-6-3-4-8-15(12)18-17(20)13(2)22-16(19)10-9-14-7-5-11-21-14/h5,7,9-13,15H,3-4,6,8H2,1-2H3,(H,18,20)/b10-9+
InChIKeyYRVUYMPRNKRDFL-MDZDMXLPSA-N
MW305.37 g/mol
LogP2.92
Rot. Bonds5

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 25163151) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID25163151
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccco1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H23NO4/c1-12-6-3-4-8-15(12)18-17(20)13(2)22-16(19)10-9-14-7-5-11-21-14/h5,7,9-13,15H,3-4,6,8H2,1-2H3,(H,18,20)/b10-9+
InChIKeyYRVUYMPRNKRDFL-MDZDMXLPSA-N
XLogP2.92
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate (CID 25163151) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate is CC(OC(=O)/C=C/c1ccco1)C(=O)NC1CCCCC1C.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is YRVUYMPRNKRDFL-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12-6-3-4-8-15(12)18-17(20)13(2)22-16(19)10-9-14-7-5-11-21-14/h5,7,9-13,15H,3-4,6,8H2,1-2H3,(H,18,20)/b10-9+.
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 305.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 25163151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).