2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate

C17H18N2O4 — CID 18668407

IUPAC2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C17H18N2O4/c1-11(2)16(21)23-10-9-18-17(22)19-14-7-3-6-13-12(14)5-4-8-15(13)20/h3-8,20H,1,9-10H2,2H3,(H2,18,19,22)
InChIKeyWGUXYOPQJUUDQM-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.79
Rot. Bonds5

About 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate

2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 18668407) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID18668407
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C17H18N2O4/c1-11(2)16(21)23-10-9-18-17(22)19-14-7-3-6-13-12(14)5-4-8-15(13)20/h3-8,20H,1,9-10H2,2H3,(H2,18,19,22)
InChIKeyWGUXYOPQJUUDQM-UHFFFAOYSA-N
XLogP2.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate (CID 18668407) is 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is WGUXYOPQJUUDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)16(21)23-10-9-18-17(22)19-14-7-3-6-13-12(14)5-4-8-15(13)20/h3-8,20H,1,9-10H2,2H3,(H2,18,19,22).
What are the key properties of 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 314.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxynaphthalen-1-yl)carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18668407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).