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

C18H20N2O4 — CID 18668271

IUPAC4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H20N2O4/c1-2-17(22)24-12-4-3-11-19-18(23)20-15-9-5-8-14-13(15)7-6-10-16(14)21/h2,5-10,21H,1,3-4,11-12H2,(H2,19,20,23)
InChIKeyFXMUWJJGBNLRDU-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.18
Rot. Bonds7

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

4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate (PubChem CID 18668271) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate
PubChem CID18668271
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H20N2O4/c1-2-17(22)24-12-4-3-11-19-18(23)20-15-9-5-8-14-13(15)7-6-10-16(14)21/h2,5-10,21H,1,3-4,11-12H2,(H2,19,20,23)
InChIKeyFXMUWJJGBNLRDU-UHFFFAOYSA-N
XLogP3.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.18
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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Related Compounds

4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]-2-methylidenebutanoate
CID 18935952
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
12-[[5-(11-carboxyundecylcarbamoylamino)naphthalen-1-yl]carbamoylamino]dodecanoic acid
CID 132504910
6-O-[2-[[5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]naphthalen-1-yl]carbamoyloxy]ethyl] 1-O-[2-[2-[5-(2-prop-2-enoyloxyethoxycarbonylamino)naphthalen-1-yl]acetyl]oxyethyl] hexanedioate
CID 160664260
2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate
CID 67140737
6-[[3-[(6-prop-2-enoyloxyhexoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]hexyl prop-2-enoate
CID 54000261
1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108901146
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430
2-(2-aminoethoxy)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 79473649
4-(iodooxycarbonylamino)butyl prop-2-enoate
CID 154989529
2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
CID 70579258
5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
CID 171768588

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate?
The IUPAC name of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate (CID 18668271) is 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate.
What is the SMILES notation for 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate?
The canonical SMILES for 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate is C=CC(=O)OCCCCNC(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate?
The InChIKey is FXMUWJJGBNLRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-17(22)24-12-4-3-11-19-18(23)20-15-9-5-8-14-13(15)7-6-10-16(14)21/h2,5-10,21H,1,3-4,11-12H2,(H2,19,20,23).
What are the key properties of 4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate?
4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate has a molecular weight of 328.37 g/mol, XLogP of 3.18, 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 prop-2-enoate is sourced from PubChem (CID 18668271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).