4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate

C19H22N2O4 — CID 18668249

IUPAC4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCNC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H22N2O4/c1-13(2)18(23)25-12-4-3-11-20-19(24)21-16-9-5-8-15-14(16)7-6-10-17(15)22/h5-10,22H,1,3-4,11-12H2,2H3,(H2,20,21,24)
InChIKeyJSVKEMMDXQUEDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.57
Rot. Bonds7

About 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate

4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate (PubChem CID 18668249) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate
PubChem CID18668249
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCNC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H22N2O4/c1-13(2)18(23)25-12-4-3-11-20-19(24)21-16-9-5-8-15-14(16)7-6-10-17(15)22/h5-10,22H,1,3-4,11-12H2,2H3,(H2,20,21,24)
InChIKeyJSVKEMMDXQUEDZ-UHFFFAOYSA-N
XLogP3.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.57
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 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate (CID 18668249) is 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCNC(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate?
The InChIKey is JSVKEMMDXQUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)18(23)25-12-4-3-11-20-19(24)21-16-9-5-8-15-14(16)7-6-10-17(15)22/h5-10,22H,1,3-4,11-12H2,2H3,(H2,20,21,24).
What are the key properties of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate?
4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate has a molecular weight of 342.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 18668249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).