methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate

C14H19NO3 — CID 71344369

IUPACmethyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate
SMILESC=CCCCN(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C14H19NO3/c1-4-5-6-11-15(14(16)18-3)12-7-9-13(17-2)10-8-12/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyQWDCPULXQRBNGI-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.23
Rot. Bonds6

About methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate

methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate (PubChem CID 71344369) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate
PubChem CID71344369
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate
SMILESC=CCCCN(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C14H19NO3/c1-4-5-6-11-15(14(16)18-3)12-7-9-13(17-2)10-8-12/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyQWDCPULXQRBNGI-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
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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Related Compounds

methyl N-(5-oxopentyl)-N-phenylcarbamate
CID 174518980
2-[but-3-enyl-(4-methoxyphenyl)sulfamoyl]acetic acid
CID 89249095
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
CID 101380942
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
2-[[N'-[(4-methoxyphenyl)methyl]-N-methyl-N-pent-4-enylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043864
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
3-(N-carbamothioyl-4-methoxyanilino)propanoic acid
CID 119090131

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate?
The IUPAC name of methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate (CID 71344369) is methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate.
What is the SMILES notation for methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate?
The canonical SMILES for methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate is C=CCCCN(C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate?
The InChIKey is QWDCPULXQRBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-5-6-11-15(14(16)18-3)12-7-9-13(17-2)10-8-12/h4,7-10H,1,5-6,11H2,2-3H3.
What are the key properties of methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate?
methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate is sourced from PubChem (CID 71344369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).