[(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate

C25H32N2O5 — CID 143964230

IUPAC[(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCOc1cc2ccccc2cc1/C=C\CCCOC(=O)NCC(=O)N1CC(OC)CC1C
InChIInChI=1S/C25H32N2O5/c1-18-13-22(30-2)17-27(18)24(28)16-26-25(29)32-12-8-4-5-11-21-14-19-9-6-7-10-20(19)15-23(21)31-3/h5-7,9-11,14-15,18,22H,4,8,12-13,16-17H2,1-3H3,(H,26,29)/b11-5-
InChIKeyWHZGVMSIWDKGTI-WZUFQYTHSA-N
MW440.54 g/mol
LogP4.00
Rot. Bonds9

About [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate

[(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 143964230) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name[(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate
PubChem CID143964230
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name[(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCOc1cc2ccccc2cc1/C=C\CCCOC(=O)NCC(=O)N1CC(OC)CC1C
InChIInChI=1S/C25H32N2O5/c1-18-13-22(30-2)17-27(18)24(28)16-26-25(29)32-12-8-4-5-11-21-14-19-9-6-7-10-20(19)15-23(21)31-3/h5-7,9-11,14-15,18,22H,4,8,12-13,16-17H2,1-3H3,(H,26,29)/b11-5-
InChIKeyWHZGVMSIWDKGTI-WZUFQYTHSA-N
XLogP4.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-ethyl (1R,2S)-2-[(Z)-hept-1-enyl]-1-[[(2S,4S)-4-methoxy-1-[2-[[(E)-7-(3-methoxynaphthalen-2-yl)-3,3-dimethylhept-6-enoxy]carbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 89060650
methyl (2S,4S)-4-methoxy-1-[2-[6-(3-methoxynaphthalen-2-yl)hexylcarbamoylamino]acetyl]pyrrolidine-2-carboxylate
CID 143964238
methyl (4R)-4-[3-(3-ethenylphenyl)-6,7-dimethoxyquinoxalin-2-yl]oxy-1-[2-(pent-4-enoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 145379374
9H-fluoren-9-ylmethyl N-[2-(2,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 21303828
(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
CID 57085839
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 128984922
dimethyl 2-[(E)-5-naphthalen-2-ylpent-4-enyl]propanedioate
CID 135072454
benzyl N-[2-[(3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane
CID 142074559
ethyl 2-dodec-1-enyl-6-methoxybenzoate
CID 57400170
9H-fluoren-9-ylmethyl N-[4-(4-amino-2-methoxyphenyl)but-3-enyl]carbamate
CID 170492355
methyl (E)-7-(2-aminophenyl)hept-6-enoate
CID 22010656
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128985160

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate (CID 143964230) is [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate is COc1cc2ccccc2cc1/C=C\CCCOC(=O)NCC(=O)N1CC(OC)CC1C.
What is the InChIKey of [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is WHZGVMSIWDKGTI-WZUFQYTHSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-18-13-22(30-2)17-27(18)24(28)16-26-25(29)32-12-8-4-5-11-21-14-19-9-6-7-10-20(19)15-23(21)31-3/h5-7,9-11,14-15,18,22H,4,8,12-13,16-17H2,1-3H3,(H,26,29)/b11-5-.
What are the key properties of [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
[(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(3-methoxynaphthalen-2-yl)pent-4-enyl] N-[2-(4-methoxy-2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 143964230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).